3-[2-[(1,5-dimethylpyrazole-3-carbonyl)amino]ethylcarbamoyl]-1-methylpyrazole-4-carboxylic acid

C14H18N6O4 — CID 19498431

IUPAC3-[2-[(1,5-dimethylpyrazole-3-carbonyl)amino]ethylcarbamoyl]-1-methylpyrazole-4-carboxylic acid
SMILESCc1cc(C(=O)NCCNC(=O)c2nn(C)cc2C(=O)O)nn1C
InChIInChI=1S/C14H18N6O4/c1-8-6-10(17-20(8)3)12(21)15-4-5-16-13(22)11-9(14(23)24)7-19(2)18-11/h6-7H,4-5H2,1-3H3,(H,15,21)(H,16,22)(H,23,24)
InChIKeyHQEBLNAIDDTCEZ-UHFFFAOYSA-N
MW334.34 g/mol
LogP-0.68
Rot. Bonds6

About 3-[2-[(1,5-dimethylpyrazole-3-carbonyl)amino]ethylcarbamoyl]-1-methylpyrazole-4-carboxylic acid

3-[2-[(1,5-dimethylpyrazole-3-carbonyl)amino]ethylcarbamoyl]-1-methylpyrazole-4-carboxylic acid (PubChem CID 19498431) has the molecular formula C14H18N6O4 and a molecular weight of 334.34 g/mol. Its IUPAC name is 3-[2-[(1,5-dimethylpyrazole-3-carbonyl)amino]ethylcarbamoyl]-1-methylpyrazole-4-carboxylic acid.

Molecular Properties

Compound Name3-[2-[(1,5-dimethylpyrazole-3-carbonyl)amino]ethylcarbamoyl]-1-methylpyrazole-4-carboxylic acid
PubChem CID19498431
Molecular FormulaC14H18N6O4
Molecular Weight334.34 g/mol
Exact Mass334.14
IUPAC Name3-[2-[(1,5-dimethylpyrazole-3-carbonyl)amino]ethylcarbamoyl]-1-methylpyrazole-4-carboxylic acid
SMILESCc1cc(C(=O)NCCNC(=O)c2nn(C)cc2C(=O)O)nn1C
InChIInChI=1S/C14H18N6O4/c1-8-6-10(17-20(8)3)12(21)15-4-5-16-13(22)11-9(14(23)24)7-19(2)18-11/h6-7H,4-5H2,1-3H3,(H,15,21)(H,16,22)(H,23,24)
InChIKeyHQEBLNAIDDTCEZ-UHFFFAOYSA-N
XLogP-0.68
TPSA131.14 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.34
LogP ≤ 5-0.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-methoxyethyl)-1,5-dimethylpyrazole-3-carboxamide
CID 19279762
1-methyl-3-(octadecylcarbamoyl)pyrazole-4-carboxylic acid
CID 19496514
N-[(1,3-dimethylpyrazol-4-yl)methyl]-1,5-dimethylpyrazole-3-carboxamide
CID 19279610
3-(hydrazinecarbonyl)-1-methylpyrazole-4-carboxylic acid
CID 25252406
4-[(1,5-dimethylpyrazole-3-carbonyl)amino]butanoyl chloride
CID 19279626
3-[5-[2-[(1,5-dimethylpyrazole-3-carbonyl)amino]ethylcarbamoyl]pyrazol-1-yl]propanoic acid
CID 19491969
3-(3-ethoxypropylcarbamoyl)-1-methylpyrazole-4-carboxylic acid
CID 19623940
2-[4-[2-[(1,5-dimethylpyrazole-3-carbonyl)amino]ethylcarbamoyl]pyrazol-1-yl]propanoic acid
CID 19504825
3-(cyclopropylcarbamoyl)-1-methylpyrazole-4-carboxylic acid
CID 15679514
methyl 6-[(1,5-dimethylpyrazole-3-carbonyl)amino]hexanoate
CID 113225419
N-[2-(1,3-benzodioxol-5-yl)ethyl]-1,5-dimethylpyrazole-3-carboxamide
CID 78905048
1,5-dimethylpyrazole-3-carboxylic acid;iridium
CID 59657074

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(1,5-dimethylpyrazole-3-carbonyl)amino]ethylcarbamoyl]-1-methylpyrazole-4-carboxylic acid?
The IUPAC name of 3-[2-[(1,5-dimethylpyrazole-3-carbonyl)amino]ethylcarbamoyl]-1-methylpyrazole-4-carboxylic acid (CID 19498431) is 3-[2-[(1,5-dimethylpyrazole-3-carbonyl)amino]ethylcarbamoyl]-1-methylpyrazole-4-carboxylic acid.
What is the SMILES notation for 3-[2-[(1,5-dimethylpyrazole-3-carbonyl)amino]ethylcarbamoyl]-1-methylpyrazole-4-carboxylic acid?
The canonical SMILES for 3-[2-[(1,5-dimethylpyrazole-3-carbonyl)amino]ethylcarbamoyl]-1-methylpyrazole-4-carboxylic acid is Cc1cc(C(=O)NCCNC(=O)c2nn(C)cc2C(=O)O)nn1C.
What is the InChIKey of 3-[2-[(1,5-dimethylpyrazole-3-carbonyl)amino]ethylcarbamoyl]-1-methylpyrazole-4-carboxylic acid?
The InChIKey is HQEBLNAIDDTCEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6O4/c1-8-6-10(17-20(8)3)12(21)15-4-5-16-13(22)11-9(14(23)24)7-19(2)18-11/h6-7H,4-5H2,1-3H3,(H,15,21)(H,16,22)(H,23,24).
What are the key properties of 3-[2-[(1,5-dimethylpyrazole-3-carbonyl)amino]ethylcarbamoyl]-1-methylpyrazole-4-carboxylic acid?
3-[2-[(1,5-dimethylpyrazole-3-carbonyl)amino]ethylcarbamoyl]-1-methylpyrazole-4-carboxylic acid has a molecular weight of 334.34 g/mol, XLogP of -0.68, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(1,5-dimethylpyrazole-3-carbonyl)amino]ethylcarbamoyl]-1-methylpyrazole-4-carboxylic acid is sourced from PubChem (CID 19498431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).