5-(4-chloro-3-methylphenyl)-N-cyclohexyl-4-[(4-methylphenyl)methyl]-3,4-dihydropyrazole-2-carboxamide

C25H30ClN3O — CID 71451172

IUPAC5-(4-chloro-3-methylphenyl)-N-cyclohexyl-4-[(4-methylphenyl)methyl]-3,4-dihydropyrazole-2-carboxamide
SMILESCc1ccc(CC2CN(C(=O)NC3CCCCC3)N=C2c2ccc(Cl)c(C)c2)cc1
InChIInChI=1S/C25H30ClN3O/c1-17-8-10-19(11-9-17)15-21-16-29(25(30)27-22-6-4-3-5-7-22)28-24(21)20-12-13-23(26)18(2)14-20/h8-14,21-22H,3-7,15-16H2,1-2H3,(H,27,30)
InChIKeyUCDCIZSUJJLWLA-UHFFFAOYSA-N
MW423.99 g/mol
LogP5.88
Rot. Bonds4

About 5-(4-chloro-3-methylphenyl)-N-cyclohexyl-4-[(4-methylphenyl)methyl]-3,4-dihydropyrazole-2-carboxamide

5-(4-chloro-3-methylphenyl)-N-cyclohexyl-4-[(4-methylphenyl)methyl]-3,4-dihydropyrazole-2-carboxamide (PubChem CID 71451172) has the molecular formula C25H30ClN3O and a molecular weight of 423.99 g/mol. Its IUPAC name is 5-(4-chloro-3-methylphenyl)-N-cyclohexyl-4-[(4-methylphenyl)methyl]-3,4-dihydropyrazole-2-carboxamide.

Molecular Properties

Compound Name5-(4-chloro-3-methylphenyl)-N-cyclohexyl-4-[(4-methylphenyl)methyl]-3,4-dihydropyrazole-2-carboxamide
PubChem CID71451172
Molecular FormulaC25H30ClN3O
Molecular Weight423.99 g/mol
Exact Mass423.21
IUPAC Name5-(4-chloro-3-methylphenyl)-N-cyclohexyl-4-[(4-methylphenyl)methyl]-3,4-dihydropyrazole-2-carboxamide
SMILESCc1ccc(CC2CN(C(=O)NC3CCCCC3)N=C2c2ccc(Cl)c(C)c2)cc1
InChIInChI=1S/C25H30ClN3O/c1-17-8-10-19(11-9-17)15-21-16-29(25(30)27-22-6-4-3-5-7-22)28-24(21)20-12-13-23(26)18(2)14-20/h8-14,21-22H,3-7,15-16H2,1-2H3,(H,27,30)
InChIKeyUCDCIZSUJJLWLA-UHFFFAOYSA-N
XLogP5.88
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.99
LogP ≤ 55.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chloro-3-methylphenyl)-N-cyclohexyl-4-[(4-methylphenyl)methyl]-3,4-dihydropyrazole-2-carboxamide?
The IUPAC name of 5-(4-chloro-3-methylphenyl)-N-cyclohexyl-4-[(4-methylphenyl)methyl]-3,4-dihydropyrazole-2-carboxamide (CID 71451172) is 5-(4-chloro-3-methylphenyl)-N-cyclohexyl-4-[(4-methylphenyl)methyl]-3,4-dihydropyrazole-2-carboxamide.
What is the SMILES notation for 5-(4-chloro-3-methylphenyl)-N-cyclohexyl-4-[(4-methylphenyl)methyl]-3,4-dihydropyrazole-2-carboxamide?
The canonical SMILES for 5-(4-chloro-3-methylphenyl)-N-cyclohexyl-4-[(4-methylphenyl)methyl]-3,4-dihydropyrazole-2-carboxamide is Cc1ccc(CC2CN(C(=O)NC3CCCCC3)N=C2c2ccc(Cl)c(C)c2)cc1.
What is the InChIKey of 5-(4-chloro-3-methylphenyl)-N-cyclohexyl-4-[(4-methylphenyl)methyl]-3,4-dihydropyrazole-2-carboxamide?
The InChIKey is UCDCIZSUJJLWLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30ClN3O/c1-17-8-10-19(11-9-17)15-21-16-29(25(30)27-22-6-4-3-5-7-22)28-24(21)20-12-13-23(26)18(2)14-20/h8-14,21-22H,3-7,15-16H2,1-2H3,(H,27,30).
What are the key properties of 5-(4-chloro-3-methylphenyl)-N-cyclohexyl-4-[(4-methylphenyl)methyl]-3,4-dihydropyrazole-2-carboxamide?
5-(4-chloro-3-methylphenyl)-N-cyclohexyl-4-[(4-methylphenyl)methyl]-3,4-dihydropyrazole-2-carboxamide has a molecular weight of 423.99 g/mol, XLogP of 5.88, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chloro-3-methylphenyl)-N-cyclohexyl-4-[(4-methylphenyl)methyl]-3,4-dihydropyrazole-2-carboxamide is sourced from PubChem (CID 71451172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).