methyl 2-[4-[(3-hydroxypyridine-2-carbonyl)amino]pyrazol-1-yl]acetate

C12H12N4O4 — CID 61017369

IUPACmethyl 2-[4-[(3-hydroxypyridine-2-carbonyl)amino]pyrazol-1-yl]acetate
SMILESCOC(=O)Cn1cc(NC(=O)c2ncccc2O)cn1
InChIInChI=1S/C12H12N4O4/c1-20-10(18)7-16-6-8(5-14-16)15-12(19)11-9(17)3-2-4-13-11/h2-6,17H,7H2,1H3,(H,15,19)
InChIKeyGRTIGOVJPARXNN-UHFFFAOYSA-N
MW276.25 g/mol
LogP0.41
Rot. Bonds4

About methyl 2-[4-[(3-hydroxypyridine-2-carbonyl)amino]pyrazol-1-yl]acetate

methyl 2-[4-[(3-hydroxypyridine-2-carbonyl)amino]pyrazol-1-yl]acetate (PubChem CID 61017369) has the molecular formula C12H12N4O4 and a molecular weight of 276.25 g/mol. Its IUPAC name is methyl 2-[4-[(3-hydroxypyridine-2-carbonyl)amino]pyrazol-1-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-[(3-hydroxypyridine-2-carbonyl)amino]pyrazol-1-yl]acetate
PubChem CID61017369
Molecular FormulaC12H12N4O4
Molecular Weight276.25 g/mol
Exact Mass276.09
IUPAC Namemethyl 2-[4-[(3-hydroxypyridine-2-carbonyl)amino]pyrazol-1-yl]acetate
SMILESCOC(=O)Cn1cc(NC(=O)c2ncccc2O)cn1
InChIInChI=1S/C12H12N4O4/c1-20-10(18)7-16-6-8(5-14-16)15-12(19)11-9(17)3-2-4-13-11/h2-6,17H,7H2,1H3,(H,15,19)
InChIKeyGRTIGOVJPARXNN-UHFFFAOYSA-N
XLogP0.41
TPSA106.34 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.25
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 2-[4-[(2-methoxypyridine-3-carbonyl)amino]pyrazol-1-yl]acetate
CID 61017726
methyl 2-[4-[(3,4-dihydroxybenzoyl)amino]pyrazol-1-yl]acetate
CID 103956596
methyl 2-[4-[(3-hydroxy-4-methylbenzoyl)amino]pyrazol-1-yl]acetate
CID 61018238
methyl 2-[4-(3-pyrazol-1-ylpropanoylamino)pyrazol-1-yl]acetate
CID 61017975
methyl 2-[4-[(3-chloro-2-methylbenzoyl)amino]pyrazol-1-yl]acetate
CID 99843425
3-hydroxy-N-(1-pyridin-2-ylpyrazol-4-yl)pyridine-2-carboxamide
CID 75510958
methyl 2-[4-[(4-methyl-1,3-thiazole-5-carbonyl)amino]pyrazol-1-yl]acetate
CID 47292002
methyl 2-[4-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)amino]pyrazol-1-yl]acetate
CID 79166313
methyl 2-[4-[(3-chloro-4-fluorobenzoyl)amino]pyrazol-1-yl]acetate
CID 81422798
methyl 2-[4-[(4-chloro-1-methylpyrrole-2-carbonyl)amino]pyrazol-1-yl]acetate
CID 61018368
methyl 2-[4-(3-methylsulfanylpropanoylamino)pyrazol-1-yl]acetate
CID 54904175
3-amino-N-[1-[(2-hydroxyphenyl)methyl]pyrazol-4-yl]pyrazine-2-carboxamide
CID 155220772

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-[(3-hydroxypyridine-2-carbonyl)amino]pyrazol-1-yl]acetate?
The IUPAC name of methyl 2-[4-[(3-hydroxypyridine-2-carbonyl)amino]pyrazol-1-yl]acetate (CID 61017369) is methyl 2-[4-[(3-hydroxypyridine-2-carbonyl)amino]pyrazol-1-yl]acetate.
What is the SMILES notation for methyl 2-[4-[(3-hydroxypyridine-2-carbonyl)amino]pyrazol-1-yl]acetate?
The canonical SMILES for methyl 2-[4-[(3-hydroxypyridine-2-carbonyl)amino]pyrazol-1-yl]acetate is COC(=O)Cn1cc(NC(=O)c2ncccc2O)cn1.
What is the InChIKey of methyl 2-[4-[(3-hydroxypyridine-2-carbonyl)amino]pyrazol-1-yl]acetate?
The InChIKey is GRTIGOVJPARXNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O4/c1-20-10(18)7-16-6-8(5-14-16)15-12(19)11-9(17)3-2-4-13-11/h2-6,17H,7H2,1H3,(H,15,19).
What are the key properties of methyl 2-[4-[(3-hydroxypyridine-2-carbonyl)amino]pyrazol-1-yl]acetate?
methyl 2-[4-[(3-hydroxypyridine-2-carbonyl)amino]pyrazol-1-yl]acetate has a molecular weight of 276.25 g/mol, XLogP of 0.41, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-[(3-hydroxypyridine-2-carbonyl)amino]pyrazol-1-yl]acetate is sourced from PubChem (CID 61017369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).