4-cyano-1-ethyl-5-(2-methoxy-4-propylphenyl)-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide

C25H34N4O2 — CID 160993042

IUPAC4-cyano-1-ethyl-5-(2-methoxy-4-propylphenyl)-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide
SMILESCCCc1ccc(-c2c(C#N)c(C(=O)NCC3CCC(C)CC3)nn2CC)c(OC)c1
InChIInChI=1S/C25H34N4O2/c1-5-7-18-12-13-20(22(14-18)31-4)24-21(15-26)23(28-29(24)6-2)25(30)27-16-19-10-8-17(3)9-11-19/h12-14,17,19H,5-11,16H2,1-4H3,(H,27,30)
InChIKeyVMKACWYVDSFILJ-UHFFFAOYSA-N
MW422.57 g/mol
LogP4.96
Rot. Bonds8

About 4-cyano-1-ethyl-5-(2-methoxy-4-propylphenyl)-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide

4-cyano-1-ethyl-5-(2-methoxy-4-propylphenyl)-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide (PubChem CID 160993042) has the molecular formula C25H34N4O2 and a molecular weight of 422.57 g/mol. Its IUPAC name is 4-cyano-1-ethyl-5-(2-methoxy-4-propylphenyl)-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-cyano-1-ethyl-5-(2-methoxy-4-propylphenyl)-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide
PubChem CID160993042
Molecular FormulaC25H34N4O2
Molecular Weight422.57 g/mol
Exact Mass422.27
IUPAC Name4-cyano-1-ethyl-5-(2-methoxy-4-propylphenyl)-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide
SMILESCCCc1ccc(-c2c(C#N)c(C(=O)NCC3CCC(C)CC3)nn2CC)c(OC)c1
InChIInChI=1S/C25H34N4O2/c1-5-7-18-12-13-20(22(14-18)31-4)24-21(15-26)23(28-29(24)6-2)25(30)27-16-19-10-8-17(3)9-11-19/h12-14,17,19H,5-11,16H2,1-4H3,(H,27,30)
InChIKeyVMKACWYVDSFILJ-UHFFFAOYSA-N
XLogP4.96
TPSA79.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.57
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(4-bromo-2-methoxyphenyl)-4-chloro-1-ethyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide
CID 153295935
1-ethyl-5-[2-methoxy-4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]-4-methyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;sulfur dioxide
CID 160964994
N-[(1-amino-4-methylcyclohexyl)methyl]-4-chloro-1-ethyl-5-[2-methoxy-4-(2-methylpropyl)phenyl]pyrazole-3-carboxamide;4-chloro-1-(2-cyanoethyl)-5-[2-methoxy-4-(propan-2-ylamino)phenyl]-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-cyano-5-[4-(2,2-dimethylpropyl)-2-methoxyphenyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-cyano-5-[4-(2,2-dimethylpropyl)-2-methoxyphenyl]-1-ethyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-cyano-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]-5-(2-methoxy-4-propylphenyl)pyrazole-3-carboxamide;4-cyano-1-ethyl-5-[2-methoxy-4-(2-methylpropyl)phenyl]-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-cyano-1-ethyl-5-(2-methoxy-4-propylphenyl)-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;heptakis(sulfur dioxide)
CID 160993041
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-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-[2-(difluoromethoxy)-4-(4,4,4-trifluorobutyl)phenyl]-1-ethyl-N-[(4-methylsulfonylcyclohexyl)methyl]pyrazole-3-carboxamide
CID 146287307
N-[(1-amino-4-methylcyclohexyl)methyl]-4-chloro-1-ethyl-5-[2-methoxy-4-(3,3,3-trifluoro-2-methylpropyl)phenyl]pyrazole-3-carboxamide
CID 153296254
2-(4-cyanophenyl)-N-[(4-methylcyclohexyl)methyl]acetamide
CID 62404558

Frequently Asked Questions

What is the IUPAC name of 4-cyano-1-ethyl-5-(2-methoxy-4-propylphenyl)-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide?
The IUPAC name of 4-cyano-1-ethyl-5-(2-methoxy-4-propylphenyl)-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide (CID 160993042) is 4-cyano-1-ethyl-5-(2-methoxy-4-propylphenyl)-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide.
What is the SMILES notation for 4-cyano-1-ethyl-5-(2-methoxy-4-propylphenyl)-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide?
The canonical SMILES for 4-cyano-1-ethyl-5-(2-methoxy-4-propylphenyl)-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide is CCCc1ccc(-c2c(C#N)c(C(=O)NCC3CCC(C)CC3)nn2CC)c(OC)c1.
What is the InChIKey of 4-cyano-1-ethyl-5-(2-methoxy-4-propylphenyl)-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide?
The InChIKey is VMKACWYVDSFILJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N4O2/c1-5-7-18-12-13-20(22(14-18)31-4)24-21(15-26)23(28-29(24)6-2)25(30)27-16-19-10-8-17(3)9-11-19/h12-14,17,19H,5-11,16H2,1-4H3,(H,27,30).
What are the key properties of 4-cyano-1-ethyl-5-(2-methoxy-4-propylphenyl)-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide?
4-cyano-1-ethyl-5-(2-methoxy-4-propylphenyl)-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide has a molecular weight of 422.57 g/mol, XLogP of 4.96, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-1-ethyl-5-(2-methoxy-4-propylphenyl)-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide is sourced from PubChem (CID 160993042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).