5-(4-bromo-2-methoxyphenyl)-4-chloro-1-ethyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide

C21H27BrClN3O2 — CID 153295935

IUPAC5-(4-bromo-2-methoxyphenyl)-4-chloro-1-ethyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide
SMILESCCn1nc(C(=O)NCC2CCC(C)CC2)c(Cl)c1-c1ccc(Br)cc1OC
InChIInChI=1S/C21H27BrClN3O2/c1-4-26-20(16-10-9-15(22)11-17(16)28-3)18(23)19(25-26)21(27)24-12-14-7-5-13(2)6-8-14/h9-11,13-14H,4-8,12H2,1-3H3,(H,24,27)
InChIKeyMHZPJFHILBDGKM-UHFFFAOYSA-N
MW468.82 g/mol
LogP5.55
Rot. Bonds6

About 5-(4-bromo-2-methoxyphenyl)-4-chloro-1-ethyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide

5-(4-bromo-2-methoxyphenyl)-4-chloro-1-ethyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide (PubChem CID 153295935) has the molecular formula C21H27BrClN3O2 and a molecular weight of 468.82 g/mol. Its IUPAC name is 5-(4-bromo-2-methoxyphenyl)-4-chloro-1-ethyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-(4-bromo-2-methoxyphenyl)-4-chloro-1-ethyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide
PubChem CID153295935
Molecular FormulaC21H27BrClN3O2
Molecular Weight468.82 g/mol
Exact Mass467.10
IUPAC Name5-(4-bromo-2-methoxyphenyl)-4-chloro-1-ethyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide
SMILESCCn1nc(C(=O)NCC2CCC(C)CC2)c(Cl)c1-c1ccc(Br)cc1OC
InChIInChI=1S/C21H27BrClN3O2/c1-4-26-20(16-10-9-15(22)11-17(16)28-3)18(23)19(25-26)21(27)24-12-14-7-5-13(2)6-8-14/h9-11,13-14H,4-8,12H2,1-3H3,(H,24,27)
InChIKeyMHZPJFHILBDGKM-UHFFFAOYSA-N
XLogP5.55
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.82
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-(4-bromo-2-methoxyphenyl)-4-chloro-1-ethyl-N-[(4-methylcyclohexyl)methyl]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

Related Compounds

5-(6-amino-4-methoxy-3-pyridinyl)-4-chloro-1-ethyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide
CID 146286287
4-chloro-1-ethyl-5-[4-methoxy-6-[(4-methylcyclohexyl)amino]-3-pyridinyl]-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide
CID 159529310
4-chloro-5-[2-(difluoromethoxy)-4-(3,3,3-trifluoro-2-methylpropyl)phenyl]-1-ethyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide
CID 158708473
4-chloro-1-ethyl-5-[2-methoxy-4-(3,3,3-trifluoro-2-methylpropyl)phenyl]-N-[(4-methylsulfonylcyclohexyl)methyl]pyrazole-3-carboxamide
CID 146287583
4-cyano-1-ethyl-5-(2-methoxy-4-propylphenyl)-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide
CID 160993042
4-chloro-1-ethyl-N-[(4-methylcyclohexyl)methyl]-5-[2-propan-2-yloxy-4-[[(2R)-1,1,1-trifluoropropan-2-yl]amino]phenyl]pyrazole-3-carboxamide
CID 153295893
4-chloro-5-[2-(difluoromethoxy)-4-(3,3,3-trifluoro-2-methylpropyl)phenyl]-1-ethyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;sulfur dioxide
CID 158708472
4-chloro-1-ethyl-5-[2-fluoro-4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide
CID 153296231
4-chloro-5-[6-[(2,2-difluorocyclopentyl)amino]-4-methoxy-3-pyridinyl]-1-ethyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;sulfur dioxide
CID 158637964
4-chloro-5-[6-[[(1S)-3,3-difluorocyclopentyl]amino]-4-methoxy-3-pyridinyl]-1-ethyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;sulfur dioxide
CID 162168361
4-chloro-5-[6-[[(1R)-2,2-difluorocyclohexyl]amino]-4-methoxy-3-pyridinyl]-1-ethyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;sulfur dioxide
CID 161333910
4-chloro-1-ethyl-5-[4-methoxy-6-(methylamino)-3-pyridinyl]-N-[(4-methylsulfonylcyclohexyl)methyl]pyrazole-3-carboxamide
CID 146286272

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromo-2-methoxyphenyl)-4-chloro-1-ethyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide?
The IUPAC name of 5-(4-bromo-2-methoxyphenyl)-4-chloro-1-ethyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide (CID 153295935) is 5-(4-bromo-2-methoxyphenyl)-4-chloro-1-ethyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide.
What is the SMILES notation for 5-(4-bromo-2-methoxyphenyl)-4-chloro-1-ethyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide?
The canonical SMILES for 5-(4-bromo-2-methoxyphenyl)-4-chloro-1-ethyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide is CCn1nc(C(=O)NCC2CCC(C)CC2)c(Cl)c1-c1ccc(Br)cc1OC.
What is the InChIKey of 5-(4-bromo-2-methoxyphenyl)-4-chloro-1-ethyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide?
The InChIKey is MHZPJFHILBDGKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27BrClN3O2/c1-4-26-20(16-10-9-15(22)11-17(16)28-3)18(23)19(25-26)21(27)24-12-14-7-5-13(2)6-8-14/h9-11,13-14H,4-8,12H2,1-3H3,(H,24,27).
What are the key properties of 5-(4-bromo-2-methoxyphenyl)-4-chloro-1-ethyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide?
5-(4-bromo-2-methoxyphenyl)-4-chloro-1-ethyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide has a molecular weight of 468.82 g/mol, XLogP of 5.55, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromo-2-methoxyphenyl)-4-chloro-1-ethyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide is sourced from PubChem (CID 153295935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).