3-amino-1-[5-(cyclopropylcarbamoyl)-2-methylphenyl]pyrazole-4-carboxylic acid;pyridine-2-carboxamide

C21H22N6O4 — CID 67024249

IUPAC3-amino-1-[5-(cyclopropylcarbamoyl)-2-methylphenyl]pyrazole-4-carboxylic acid;pyridine-2-carboxamide
SMILESCc1ccc(C(=O)NC2CC2)cc1-n1cc(C(=O)O)c(N)n1.NC(=O)c1ccccn1
InChIInChI=1S/C15H16N4O3.C6H6N2O/c1-8-2-3-9(14(20)17-10-4-5-10)6-12(8)19-7-11(15(21)22)13(16)18-19;7-6(9)5-3-1-2-4-8-5/h2-3,6-7,10H,4-5H2,1H3,(H2,16,18)(H,17,20)(H,21,22);1-4H,(H2,7,9)
InChIKeyMVZHLLBHRGFMCH-UHFFFAOYSA-N
MW422.45 g/mol
LogP1.53
Rot. Bonds5

About 3-amino-1-[5-(cyclopropylcarbamoyl)-2-methylphenyl]pyrazole-4-carboxylic acid;pyridine-2-carboxamide

3-amino-1-[5-(cyclopropylcarbamoyl)-2-methylphenyl]pyrazole-4-carboxylic acid;pyridine-2-carboxamide (PubChem CID 67024249) has the molecular formula C21H22N6O4 and a molecular weight of 422.45 g/mol. Its IUPAC name is 3-amino-1-[5-(cyclopropylcarbamoyl)-2-methylphenyl]pyrazole-4-carboxylic acid;pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-1-[5-(cyclopropylcarbamoyl)-2-methylphenyl]pyrazole-4-carboxylic acid;pyridine-2-carboxamide
PubChem CID67024249
Molecular FormulaC21H22N6O4
Molecular Weight422.45 g/mol
Exact Mass422.17
IUPAC Name3-amino-1-[5-(cyclopropylcarbamoyl)-2-methylphenyl]pyrazole-4-carboxylic acid;pyridine-2-carboxamide
SMILESCc1ccc(C(=O)NC2CC2)cc1-n1cc(C(=O)O)c(N)n1.NC(=O)c1ccccn1
InChIInChI=1S/C15H16N4O3.C6H6N2O/c1-8-2-3-9(14(20)17-10-4-5-10)6-12(8)19-7-11(15(21)22)13(16)18-19;7-6(9)5-3-1-2-4-8-5/h2-3,6-7,10H,4-5H2,1H3,(H2,16,18)(H,17,20)(H,21,22);1-4H,(H2,7,9)
InChIKeyMVZHLLBHRGFMCH-UHFFFAOYSA-N
XLogP1.53
TPSA166.22 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.45
LogP ≤ 51.53
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze 3-amino-1-[5-(cyclopropylcarbamoyl)-2-methylphenyl]pyrazole-4-carboxylic acid;pyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[5-(cyclopropylcarbamoyl)-2-methylphenyl]pyrazole-4-carboxylic acid;pyridine-2-carboxamide?
The IUPAC name of 3-amino-1-[5-(cyclopropylcarbamoyl)-2-methylphenyl]pyrazole-4-carboxylic acid;pyridine-2-carboxamide (CID 67024249) is 3-amino-1-[5-(cyclopropylcarbamoyl)-2-methylphenyl]pyrazole-4-carboxylic acid;pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-1-[5-(cyclopropylcarbamoyl)-2-methylphenyl]pyrazole-4-carboxylic acid;pyridine-2-carboxamide?
The canonical SMILES for 3-amino-1-[5-(cyclopropylcarbamoyl)-2-methylphenyl]pyrazole-4-carboxylic acid;pyridine-2-carboxamide is Cc1ccc(C(=O)NC2CC2)cc1-n1cc(C(=O)O)c(N)n1.NC(=O)c1ccccn1.
What is the InChIKey of 3-amino-1-[5-(cyclopropylcarbamoyl)-2-methylphenyl]pyrazole-4-carboxylic acid;pyridine-2-carboxamide?
The InChIKey is MVZHLLBHRGFMCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O3.C6H6N2O/c1-8-2-3-9(14(20)17-10-4-5-10)6-12(8)19-7-11(15(21)22)13(16)18-19;7-6(9)5-3-1-2-4-8-5/h2-3,6-7,10H,4-5H2,1H3,(H2,16,18)(H,17,20)(H,21,22);1-4H,(H2,7,9).
What are the key properties of 3-amino-1-[5-(cyclopropylcarbamoyl)-2-methylphenyl]pyrazole-4-carboxylic acid;pyridine-2-carboxamide?
3-amino-1-[5-(cyclopropylcarbamoyl)-2-methylphenyl]pyrazole-4-carboxylic acid;pyridine-2-carboxamide has a molecular weight of 422.45 g/mol, XLogP of 1.53, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[5-(cyclopropylcarbamoyl)-2-methylphenyl]pyrazole-4-carboxylic acid;pyridine-2-carboxamide is sourced from PubChem (CID 67024249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).