4-(Hydroxymethyl)-1-methylpyrazole - CAS 112029-98-8
Catalog: |
BB002851 |
Product Name: |
4-(Hydroxymethyl)-1-methylpyrazole |
CAS: |
112029-98-8 |
Synonyms: |
(1-methyl-4-pyrazolyl)methanol; (1-methylpyrazol-4-yl)methanol |
IUPAC Name: | (1-methylpyrazol-4-yl)methanol |
Description: | 4-(Hydroxymethyl)-1-methylpyrazole (CAS# 112029-98-8) is a useful research chemical. |
Molecular Weight: | 112.13 |
Molecular Formula: | C5H8N2O |
Canonical SMILES: | CN1C=C(C=N1)CO |
InChI: | InChI=1S/C5H8N2O/c1-7-3-5(4-8)2-6-7/h2-3,8H,4H2,1H3 |
InChI Key: | QSXREDPBMQKKAY-UHFFFAOYSA-N |
Boiling Point: | 244 °C |
Density: | 1.16 g/cm3 |
Storage: | Sealed in dry, 2-8 °C |
MDL: | MFCD01822311 |
LogP: | -0.08760 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021190727-A1 | Compounds and their use in the treatment of bacterial infection | 20200324 |
WO-2021158936-A1 | Pyrrolo [2,3-b]pyridine-3-carboxamide compositions and methods for ameliorating hearing loss | 20200205 |
WO-2021152149-A1 | Ras inhibitors and methods of using the same | 20200131 |
CN-112574230-A | Peptidyl arginine deiminase inhibitors and uses thereof | 20190927 |
WO-2021057910-A1 | Peptidylarginine deiminase inhibitor and use thereof | 20190927 |
Complexity: | 76.8 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 112.063662883 |
Formal Charge: | 0 |
Heavy Atom Count: | 8 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 112.063662883 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 38 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.7 |
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