3-(Boc-amino)-1-methyl-1H-pyrazole-5-carboxylic Acid - CAS 128883-83-0
Catalog: |
BB006944 |
Product Name: |
3-(Boc-amino)-1-methyl-1H-pyrazole-5-carboxylic Acid |
CAS: |
128883-83-0 |
Synonyms: |
2-methyl-5-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-pyrazolecarboxylic acid; 2-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazole-3-carboxylic acid |
IUPAC Name: | 2-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazole-3-carboxylic acid |
Description: | 3-(Boc-amino)-1-methyl-1H-pyrazole-5-carboxylic Acid (CAS# 128883-83-0) is a useful research chemical. |
Molecular Weight: | 241.24 |
Molecular Formula: | C10H15N3O4 |
Canonical SMILES: | CC(C)(C)OC(=O)NC1=NN(C(=C1)C(=O)O)C |
InChI: | InChI=1S/C10H15N3O4/c1-10(2,3)17-9(16)11-7-5-6(8(14)15)13(4)12-7/h5H,1-4H3,(H,14,15)(H,11,12,16) |
InChI Key: | RDGBHWPHTCTABM-UHFFFAOYSA-N |
LogP: | 1.53830 |
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-2015050989-A2 | Macrocyclic compounds for the treatment of proliferative diseases | 20131001 |
Complexity: | 313 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 241.10625597 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 241.10625597 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 93.4 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1 |
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