trans-(1R,2R)-2-[4-(5-methyl-1H-pyrazol-3-yl)benzoyl]-N-(1H-pyrazol-4-yl)cyclohexane-1-carboxamide

C21H23N5O2 — CID 122678180

IUPACtrans-(1R,2R)-2-[4-(5-methyl-1H-pyrazol-3-yl)benzoyl]-N-(1H-pyrazol-4-yl)cyclohexane-1-carboxamide
SMILESCc1cc(-c2ccc(C(=O)[C@@H]3CCCC[C@H]3C(=O)Nc3cn[nH]c3)cc2)n[nH]1
InChIInChI=1S/C21H23N5O2/c1-13-10-19(26-25-13)14-6-8-15(9-7-14)20(27)17-4-2-3-5-18(17)21(28)24-16-11-22-23-12-16/h6-12,17-18H,2-5H2,1H3,(H,22,23)(H,24,28)(H,25,26)/t17-,18-/m1/s1
InChIKeyXPEIZFNNQVMTAI-QZTJIDSGSA-N
MW377.45 g/mol
LogP3.74
Rot. Bonds5

About trans-(1R,2R)-2-[4-(5-methyl-1H-pyrazol-3-yl)benzoyl]-N-(1H-pyrazol-4-yl)cyclohexane-1-carboxamide

trans-(1R,2R)-2-[4-(5-methyl-1H-pyrazol-3-yl)benzoyl]-N-(1H-pyrazol-4-yl)cyclohexane-1-carboxamide (PubChem CID 122678180) has the molecular formula C21H23N5O2 and a molecular weight of 377.45 g/mol. Its IUPAC name is trans-(1R,2R)-2-[4-(5-methyl-1H-pyrazol-3-yl)benzoyl]-N-(1H-pyrazol-4-yl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,2R)-2-[4-(5-methyl-1H-pyrazol-3-yl)benzoyl]-N-(1H-pyrazol-4-yl)cyclohexane-1-carboxamide
PubChem CID122678180
Molecular FormulaC21H23N5O2
Molecular Weight377.45 g/mol
Exact Mass377.19
IUPAC Nametrans-(1R,2R)-2-[4-(5-methyl-1H-pyrazol-3-yl)benzoyl]-N-(1H-pyrazol-4-yl)cyclohexane-1-carboxamide
SMILESCc1cc(-c2ccc(C(=O)[C@@H]3CCCC[C@H]3C(=O)Nc3cn[nH]c3)cc2)n[nH]1
InChIInChI=1S/C21H23N5O2/c1-13-10-19(26-25-13)14-6-8-15(9-7-14)20(27)17-4-2-3-5-18(17)21(28)24-16-11-22-23-12-16/h6-12,17-18H,2-5H2,1H3,(H,22,23)(H,24,28)(H,25,26)/t17-,18-/m1/s1
InChIKeyXPEIZFNNQVMTAI-QZTJIDSGSA-N
XLogP3.74
TPSA103.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 53.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze trans-(1R,2R)-2-[4-(5-methyl-1H-pyrazol-3-yl)benzoyl]-N-(1H-pyrazol-4-yl)cyclohexane-1-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

3,5-dimethyl-4-[[(1R,2R)-2-[4-(5-methyl-1H-pyrazol-3-yl)benzoyl]cyclohexanecarbonyl]amino]pyrazole-1-carboxamide
CID 135305868
trans-(1R,2R)-2-[4-(5-methyl-1H-pyrazol-3-yl)benzoyl]-N-(4-oxo-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-3-yl)cyclohexane-1-carboxamide
CID 122678117
methyl 4-(5-methyl-1H-pyrazol-3-yl)benzoate
CID 21023715
trans-(1S,2S)-N-(5-methoxy-1-methylpyrazol-4-yl)-2-[4-(1H-pyrazol-5-yl)benzoyl]cyclohexane-1-carboxamide
CID 135305965
trans-(1R,2R)-N-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[4-(1H-pyrazol-5-yl)benzoyl]cyclohexane-1-carboxamide
CID 155535638
4-[[(1R,2R)-2-[2-fluoro-4-(5-methyl-1H-pyrazol-3-yl)benzoyl]cyclohexanecarbonyl]amino]-1-methylpyrazole-3-carboxamide
CID 155516065
cis-(1S,2R)-2-[[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 166288343
cis-(1S,2R)-2-(1H-pyrazol-4-ylcarbamoyl)cyclopropane-1-carboxylic acid
CID 93311811
(2S)-N-(5-cyano-1-methylpyrazol-4-yl)-2-[4-(1H-pyrazol-5-yl)benzoyl]cyclohexane-1-carboxamide
CID 122678152
trans-(1R,2R)-N-(1,3-dimethylpyrazol-4-yl)-2-(4-pyridin-2-ylbenzoyl)cyclohexane-1-carboxamide
CID 155552934
3,4-dimethyl-N-(1H-pyrazol-4-yl)benzamide
CID 43429529
trans-(1R,2R)-N-(4-oxo-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-3-yl)-2-[4-(1H-pyrazol-5-yl)benzoyl]cyclohexane-1-carboxamide
CID 122678190

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-[4-(5-methyl-1H-pyrazol-3-yl)benzoyl]-N-(1H-pyrazol-4-yl)cyclohexane-1-carboxamide?
The IUPAC name of trans-(1R,2R)-2-[4-(5-methyl-1H-pyrazol-3-yl)benzoyl]-N-(1H-pyrazol-4-yl)cyclohexane-1-carboxamide (CID 122678180) is trans-(1R,2R)-2-[4-(5-methyl-1H-pyrazol-3-yl)benzoyl]-N-(1H-pyrazol-4-yl)cyclohexane-1-carboxamide.
What is the SMILES notation for trans-(1R,2R)-2-[4-(5-methyl-1H-pyrazol-3-yl)benzoyl]-N-(1H-pyrazol-4-yl)cyclohexane-1-carboxamide?
The canonical SMILES for trans-(1R,2R)-2-[4-(5-methyl-1H-pyrazol-3-yl)benzoyl]-N-(1H-pyrazol-4-yl)cyclohexane-1-carboxamide is Cc1cc(-c2ccc(C(=O)[C@@H]3CCCC[C@H]3C(=O)Nc3cn[nH]c3)cc2)n[nH]1.
What is the InChIKey of trans-(1R,2R)-2-[4-(5-methyl-1H-pyrazol-3-yl)benzoyl]-N-(1H-pyrazol-4-yl)cyclohexane-1-carboxamide?
The InChIKey is XPEIZFNNQVMTAI-QZTJIDSGSA-N. The full InChI is InChI=1S/C21H23N5O2/c1-13-10-19(26-25-13)14-6-8-15(9-7-14)20(27)17-4-2-3-5-18(17)21(28)24-16-11-22-23-12-16/h6-12,17-18H,2-5H2,1H3,(H,22,23)(H,24,28)(H,25,26)/t17-,18-/m1/s1.
What are the key properties of trans-(1R,2R)-2-[4-(5-methyl-1H-pyrazol-3-yl)benzoyl]-N-(1H-pyrazol-4-yl)cyclohexane-1-carboxamide?
trans-(1R,2R)-2-[4-(5-methyl-1H-pyrazol-3-yl)benzoyl]-N-(1H-pyrazol-4-yl)cyclohexane-1-carboxamide has a molecular weight of 377.45 g/mol, XLogP of 3.74, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-[4-(5-methyl-1H-pyrazol-3-yl)benzoyl]-N-(1H-pyrazol-4-yl)cyclohexane-1-carboxamide is sourced from PubChem (CID 122678180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).