methyl 3-[(3-acetamido-1H-pyrazole-5-carbonyl)amino]-1H-pyrazole-5-carboxylate

C11H12N6O4 — CID 12073867

IUPACmethyl 3-[(3-acetamido-1H-pyrazole-5-carbonyl)amino]-1H-pyrazole-5-carboxylate
SMILESCOC(=O)c1cc(NC(=O)c2cc(NC(C)=O)n[nH]2)n[nH]1
InChIInChI=1S/C11H12N6O4/c1-5(18)12-8-3-6(14-16-8)10(19)13-9-4-7(15-17-9)11(20)21-2/h3-4H,1-2H3,(H2,12,14,16,18)(H2,13,15,17,19)
InChIKeyNLYGPVGWRLBYJM-UHFFFAOYSA-N
MW292.26 g/mol
LogP0.13
Rot. Bonds4

About methyl 3-[(3-acetamido-1H-pyrazole-5-carbonyl)amino]-1H-pyrazole-5-carboxylate

methyl 3-[(3-acetamido-1H-pyrazole-5-carbonyl)amino]-1H-pyrazole-5-carboxylate (PubChem CID 12073867) has the molecular formula C11H12N6O4 and a molecular weight of 292.26 g/mol. Its IUPAC name is methyl 3-[(3-acetamido-1H-pyrazole-5-carbonyl)amino]-1H-pyrazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 3-[(3-acetamido-1H-pyrazole-5-carbonyl)amino]-1H-pyrazole-5-carboxylate
PubChem CID12073867
Molecular FormulaC11H12N6O4
Molecular Weight292.26 g/mol
Exact Mass292.09
IUPAC Namemethyl 3-[(3-acetamido-1H-pyrazole-5-carbonyl)amino]-1H-pyrazole-5-carboxylate
SMILESCOC(=O)c1cc(NC(=O)c2cc(NC(C)=O)n[nH]2)n[nH]1
InChIInChI=1S/C11H12N6O4/c1-5(18)12-8-3-6(14-16-8)10(19)13-9-4-7(15-17-9)11(20)21-2/h3-4H,1-2H3,(H2,12,14,16,18)(H2,13,15,17,19)
InChIKeyNLYGPVGWRLBYJM-UHFFFAOYSA-N
XLogP0.13
TPSA141.86 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.26
LogP ≤ 50.13
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 3-acetamido-1H-pyrazole-5-carboxylate
CID 44598168
3-[[4-(methoxymethyl)benzoyl]amino]-1H-pyrazole-5-carboxylic acid
CID 64528247
3-[(3,4-dimethoxybenzoyl)amino]-1H-pyrazole-5-carboxylic acid
CID 64528227
methyl 3-[[(2S)-3-methyl-2-[(5-nitro-1H-pyrazole-3-carbonyl)amino]butanoyl]amino]-1H-pyrazole-5-carboxylate
CID 135497087
methyl 3-(4-fluorophenyl)-1H-pyrazole-5-carboxylate
CID 718672
methyl 3-phenyl-1H-pyrazole-5-carboxylate
CID 644585
tert-butyl 3-[(6-fluoropyridine-3-carbonyl)amino]-1H-pyrazole-5-carboxylate
CID 126839909
3-amino-N-(5-propyl-1H-pyrazol-3-yl)-1H-pyrazole-5-carboxamide
CID 104616226
3-[(4-bromo-1H-pyrrole-2-carbonyl)amino]-1H-pyrazole-5-carboxylic acid
CID 64526472
methyl 3-methanethioyloxy-1H-pyrazole-5-carboxylate
CID 18549791
methyl 3-(3,5-dimethoxyphenyl)-1H-pyrazole-5-carboxylate
CID 154024628
ethyl 3-[(4-chloro-2,5-difluorobenzoyl)amino]-1H-pyrazole-5-carboxylate
CID 75501249

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(3-acetamido-1H-pyrazole-5-carbonyl)amino]-1H-pyrazole-5-carboxylate?
The IUPAC name of methyl 3-[(3-acetamido-1H-pyrazole-5-carbonyl)amino]-1H-pyrazole-5-carboxylate (CID 12073867) is methyl 3-[(3-acetamido-1H-pyrazole-5-carbonyl)amino]-1H-pyrazole-5-carboxylate.
What is the SMILES notation for methyl 3-[(3-acetamido-1H-pyrazole-5-carbonyl)amino]-1H-pyrazole-5-carboxylate?
The canonical SMILES for methyl 3-[(3-acetamido-1H-pyrazole-5-carbonyl)amino]-1H-pyrazole-5-carboxylate is COC(=O)c1cc(NC(=O)c2cc(NC(C)=O)n[nH]2)n[nH]1.
What is the InChIKey of methyl 3-[(3-acetamido-1H-pyrazole-5-carbonyl)amino]-1H-pyrazole-5-carboxylate?
The InChIKey is NLYGPVGWRLBYJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N6O4/c1-5(18)12-8-3-6(14-16-8)10(19)13-9-4-7(15-17-9)11(20)21-2/h3-4H,1-2H3,(H2,12,14,16,18)(H2,13,15,17,19).
What are the key properties of methyl 3-[(3-acetamido-1H-pyrazole-5-carbonyl)amino]-1H-pyrazole-5-carboxylate?
methyl 3-[(3-acetamido-1H-pyrazole-5-carbonyl)amino]-1H-pyrazole-5-carboxylate has a molecular weight of 292.26 g/mol, XLogP of 0.13, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(3-acetamido-1H-pyrazole-5-carbonyl)amino]-1H-pyrazole-5-carboxylate is sourced from PubChem (CID 12073867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).