1-methyl-4-[[(1R,2R)-2-[4-(5-methyl-1H-pyrazol-3-yl)benzoyl]cyclohexanecarbonyl]amino]pyrazole-3-carboxamide

C23H26N6O3 — CID 122678088

IUPAC1-methyl-4-[[(1R,2R)-2-[4-(5-methyl-1H-pyrazol-3-yl)benzoyl]cyclohexanecarbonyl]amino]pyrazole-3-carboxamide
SMILESCc1cc(-c2ccc(C(=O)[C@@H]3CCCC[C@H]3C(=O)Nc3cn(C)nc3C(N)=O)cc2)n[nH]1
InChIInChI=1S/C23H26N6O3/c1-13-11-18(27-26-13)14-7-9-15(10-8-14)21(30)16-5-3-4-6-17(16)23(32)25-19-12-29(2)28-20(19)22(24)31/h7-12,16-17H,3-6H2,1-2H3,(H2,24,31)(H,25,32)(H,26,27)/t16-,17-/m1/s1
InChIKeyWKKFDAKDVQTOTA-IAGOWNOFSA-N
MW434.50 g/mol
LogP2.85
Rot. Bonds6

About 1-methyl-4-[[(1R,2R)-2-[4-(5-methyl-1H-pyrazol-3-yl)benzoyl]cyclohexanecarbonyl]amino]pyrazole-3-carboxamide

1-methyl-4-[[(1R,2R)-2-[4-(5-methyl-1H-pyrazol-3-yl)benzoyl]cyclohexanecarbonyl]amino]pyrazole-3-carboxamide (PubChem CID 122678088) has the molecular formula C23H26N6O3 and a molecular weight of 434.50 g/mol. Its IUPAC name is 1-methyl-4-[[(1R,2R)-2-[4-(5-methyl-1H-pyrazol-3-yl)benzoyl]cyclohexanecarbonyl]amino]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-methyl-4-[[(1R,2R)-2-[4-(5-methyl-1H-pyrazol-3-yl)benzoyl]cyclohexanecarbonyl]amino]pyrazole-3-carboxamide
PubChem CID122678088
Molecular FormulaC23H26N6O3
Molecular Weight434.50 g/mol
Exact Mass434.21
IUPAC Name1-methyl-4-[[(1R,2R)-2-[4-(5-methyl-1H-pyrazol-3-yl)benzoyl]cyclohexanecarbonyl]amino]pyrazole-3-carboxamide
SMILESCc1cc(-c2ccc(C(=O)[C@@H]3CCCC[C@H]3C(=O)Nc3cn(C)nc3C(N)=O)cc2)n[nH]1
InChIInChI=1S/C23H26N6O3/c1-13-11-18(27-26-13)14-7-9-15(10-8-14)21(30)16-5-3-4-6-17(16)23(32)25-19-12-29(2)28-20(19)22(24)31/h7-12,16-17H,3-6H2,1-2H3,(H2,24,31)(H,25,32)(H,26,27)/t16-,17-/m1/s1
InChIKeyWKKFDAKDVQTOTA-IAGOWNOFSA-N
XLogP2.85
TPSA135.76 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.50
LogP ≤ 52.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 1-methyl-4-[[(1R,2R)-2-[4-(5-methyl-1H-pyrazol-3-yl)benzoyl]cyclohexanecarbonyl]amino]pyrazole-3-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 1-methyl-4-[[(1R,2R)-2-[4-(5-methyl-1H-pyrazol-3-yl)benzoyl]cyclohexanecarbonyl]amino]pyrazole-3-carboxamide?
The IUPAC name of 1-methyl-4-[[(1R,2R)-2-[4-(5-methyl-1H-pyrazol-3-yl)benzoyl]cyclohexanecarbonyl]amino]pyrazole-3-carboxamide (CID 122678088) is 1-methyl-4-[[(1R,2R)-2-[4-(5-methyl-1H-pyrazol-3-yl)benzoyl]cyclohexanecarbonyl]amino]pyrazole-3-carboxamide.
What is the SMILES notation for 1-methyl-4-[[(1R,2R)-2-[4-(5-methyl-1H-pyrazol-3-yl)benzoyl]cyclohexanecarbonyl]amino]pyrazole-3-carboxamide?
The canonical SMILES for 1-methyl-4-[[(1R,2R)-2-[4-(5-methyl-1H-pyrazol-3-yl)benzoyl]cyclohexanecarbonyl]amino]pyrazole-3-carboxamide is Cc1cc(-c2ccc(C(=O)[C@@H]3CCCC[C@H]3C(=O)Nc3cn(C)nc3C(N)=O)cc2)n[nH]1.
What is the InChIKey of 1-methyl-4-[[(1R,2R)-2-[4-(5-methyl-1H-pyrazol-3-yl)benzoyl]cyclohexanecarbonyl]amino]pyrazole-3-carboxamide?
The InChIKey is WKKFDAKDVQTOTA-IAGOWNOFSA-N. The full InChI is InChI=1S/C23H26N6O3/c1-13-11-18(27-26-13)14-7-9-15(10-8-14)21(30)16-5-3-4-6-17(16)23(32)25-19-12-29(2)28-20(19)22(24)31/h7-12,16-17H,3-6H2,1-2H3,(H2,24,31)(H,25,32)(H,26,27)/t16-,17-/m1/s1.
What are the key properties of 1-methyl-4-[[(1R,2R)-2-[4-(5-methyl-1H-pyrazol-3-yl)benzoyl]cyclohexanecarbonyl]amino]pyrazole-3-carboxamide?
1-methyl-4-[[(1R,2R)-2-[4-(5-methyl-1H-pyrazol-3-yl)benzoyl]cyclohexanecarbonyl]amino]pyrazole-3-carboxamide has a molecular weight of 434.50 g/mol, XLogP of 2.85, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[[(1R,2R)-2-[4-(5-methyl-1H-pyrazol-3-yl)benzoyl]cyclohexanecarbonyl]amino]pyrazole-3-carboxamide is sourced from PubChem (CID 122678088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).