4-[(1-ethylpyrazole-3-carbonyl)amino]-1-methylpyrazole-5-carboxylic acid

C11H13N5O3 — CID 19405969

IUPAC4-[(1-ethylpyrazole-3-carbonyl)amino]-1-methylpyrazole-5-carboxylic acid
SMILESCCn1ccc(C(=O)Nc2cnn(C)c2C(=O)O)n1
InChIInChI=1S/C11H13N5O3/c1-3-16-5-4-7(14-16)10(17)13-8-6-12-15(2)9(8)11(18)19/h4-6H,3H2,1-2H3,(H,13,17)(H,18,19)
InChIKeyWNRFQMGNTJRWGO-UHFFFAOYSA-N
MW263.26 g/mol
LogP0.59
Rot. Bonds4

About 4-[(1-ethylpyrazole-3-carbonyl)amino]-1-methylpyrazole-5-carboxylic acid

4-[(1-ethylpyrazole-3-carbonyl)amino]-1-methylpyrazole-5-carboxylic acid (PubChem CID 19405969) has the molecular formula C11H13N5O3 and a molecular weight of 263.26 g/mol. Its IUPAC name is 4-[(1-ethylpyrazole-3-carbonyl)amino]-1-methylpyrazole-5-carboxylic acid.

Molecular Properties

Compound Name4-[(1-ethylpyrazole-3-carbonyl)amino]-1-methylpyrazole-5-carboxylic acid
PubChem CID19405969
Molecular FormulaC11H13N5O3
Molecular Weight263.26 g/mol
Exact Mass263.10
IUPAC Name4-[(1-ethylpyrazole-3-carbonyl)amino]-1-methylpyrazole-5-carboxylic acid
SMILESCCn1ccc(C(=O)Nc2cnn(C)c2C(=O)O)n1
InChIInChI=1S/C11H13N5O3/c1-3-16-5-4-7(14-16)10(17)13-8-6-12-15(2)9(8)11(18)19/h4-6H,3H2,1-2H3,(H,13,17)(H,18,19)
InChIKeyWNRFQMGNTJRWGO-UHFFFAOYSA-N
XLogP0.59
TPSA102.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.26
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1,5-dimethylpyrazol-4-yl)-1-ethyl-4-[(1-ethylpyrazole-3-carbonyl)amino]pyrazole-5-carboxamide
CID 19262390
4-[[1-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]pyrazole-3-carbonyl]amino]-1-methylpyrazole-5-carboxylic acid
CID 19406173
1-methyl-4-[[1-[(5-phenyltetrazol-2-yl)methyl]pyrazole-3-carbonyl]amino]-N-propylpyrazole-5-carboxamide
CID 4775206
4-[[1-[(4-bromophenoxy)methyl]pyrazole-3-carbonyl]amino]-1-methyl-N-propylpyrazole-5-carboxamide
CID 19396359
N-(2,5-dichlorophenyl)-1-ethylpyrazole-3-carboxamide
CID 841339
4-[[1-(methoxymethyl)pyrazole-3-carbonyl]amino]-1-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-5-carboxamide
CID 19270987
N-(5-chloro-2-hydroxyphenyl)-1-ethylpyrazole-3-carboxamide
CID 19262175
N-(5-chloro-2-methylphenyl)-1-ethylpyrazole-3-carboxamide
CID 19262159
methyl 4-[(1-ethylpyrazole-3-carbonyl)amino]-1,3-dimethylpyrazole-5-carboxylate
CID 95748815
N,1-diethylpyrazole-3-carboxamide
CID 19262384
N-(1-ethyl-5-methylpyrazol-4-yl)-1-methylpyrazole-3-carboxamide
CID 19262605
N-(4-carbamoylphenyl)-1-ethylpyrazole-3-carboxamide
CID 6469151

Frequently Asked Questions

What is the IUPAC name of 4-[(1-ethylpyrazole-3-carbonyl)amino]-1-methylpyrazole-5-carboxylic acid?
The IUPAC name of 4-[(1-ethylpyrazole-3-carbonyl)amino]-1-methylpyrazole-5-carboxylic acid (CID 19405969) is 4-[(1-ethylpyrazole-3-carbonyl)amino]-1-methylpyrazole-5-carboxylic acid.
What is the SMILES notation for 4-[(1-ethylpyrazole-3-carbonyl)amino]-1-methylpyrazole-5-carboxylic acid?
The canonical SMILES for 4-[(1-ethylpyrazole-3-carbonyl)amino]-1-methylpyrazole-5-carboxylic acid is CCn1ccc(C(=O)Nc2cnn(C)c2C(=O)O)n1.
What is the InChIKey of 4-[(1-ethylpyrazole-3-carbonyl)amino]-1-methylpyrazole-5-carboxylic acid?
The InChIKey is WNRFQMGNTJRWGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O3/c1-3-16-5-4-7(14-16)10(17)13-8-6-12-15(2)9(8)11(18)19/h4-6H,3H2,1-2H3,(H,13,17)(H,18,19).
What are the key properties of 4-[(1-ethylpyrazole-3-carbonyl)amino]-1-methylpyrazole-5-carboxylic acid?
4-[(1-ethylpyrazole-3-carbonyl)amino]-1-methylpyrazole-5-carboxylic acid has a molecular weight of 263.26 g/mol, XLogP of 0.59, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-ethylpyrazole-3-carbonyl)amino]-1-methylpyrazole-5-carboxylic acid is sourced from PubChem (CID 19405969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).