3-(1-Pyrazolyl)-1-propanol - CAS 180741-37-1
Catalog: |
BB013748 |
Product Name: |
3-(1-Pyrazolyl)-1-propanol |
CAS: |
180741-37-1 |
Synonyms: |
3-(1-pyrazolyl)-1-propanol; 3-pyrazol-1-ylpropan-1-ol |
IUPAC Name: | 3-pyrazol-1-ylpropan-1-ol |
Description: | 3-(1-Pyrazolyl)-1-propanol (CAS# 180741-37-1) is a useful research chemical. |
Molecular Weight: | 126.16 |
Molecular Formula: | C6H10N2O |
Canonical SMILES: | C1=CN(N=C1)CCCO |
InChI: | InChI=1S/C6H10N2O/c9-6-2-5-8-4-1-3-7-8/h1,3-4,9H,2,5-6H2 |
InChI Key: | PMKIEDXXIYUBKC-UHFFFAOYSA-N |
Boiling Point: | 256.357 °C at 760 mmHg |
Density: | 1.115 g/cm3 |
MDL: | MFCD03727229 |
LogP: | 0.26550 |
GHS Hazard Statement: | H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2020127685-A1 | Amino-acid anilides as small molecule modulators of il-17 | 20181219 |
TW-202039473-A | Small molecule modulators of il-17 | 20181219 |
CN-113164448-A | Amino acid anilines as small molecule modulators of IL-17 | 20181219 |
EP-3897623-A1 | Amino-acid anilides as small molecule modulators of il-17 | 20181219 |
KR-20210108416-A | Amino acid anilides as small molecule modulators of IL-17 | 20181219 |
Complexity: | 77.5 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 126.079312947 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 126.079312947 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 38 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.8 |
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