5-(4-chloro-3-methylphenyl)-N-cyclohexyl-4-cyclopentyl-3,4-dihydropyrazole-2-carboxamide

C22H30ClN3O — CID 71460195

IUPAC5-(4-chloro-3-methylphenyl)-N-cyclohexyl-4-cyclopentyl-3,4-dihydropyrazole-2-carboxamide
SMILESCc1cc(C2=NN(C(=O)NC3CCCCC3)CC2C2CCCC2)ccc1Cl
InChIInChI=1S/C22H30ClN3O/c1-15-13-17(11-12-20(15)23)21-19(16-7-5-6-8-16)14-26(25-21)22(27)24-18-9-3-2-4-10-18/h11-13,16,18-19H,2-10,14H2,1H3,(H,24,27)
InChIKeyXJTZVQABWKWVIS-UHFFFAOYSA-N
MW387.96 g/mol
LogP5.52
Rot. Bonds3

About 5-(4-chloro-3-methylphenyl)-N-cyclohexyl-4-cyclopentyl-3,4-dihydropyrazole-2-carboxamide

5-(4-chloro-3-methylphenyl)-N-cyclohexyl-4-cyclopentyl-3,4-dihydropyrazole-2-carboxamide (PubChem CID 71460195) has the molecular formula C22H30ClN3O and a molecular weight of 387.96 g/mol. Its IUPAC name is 5-(4-chloro-3-methylphenyl)-N-cyclohexyl-4-cyclopentyl-3,4-dihydropyrazole-2-carboxamide.

Molecular Properties

Compound Name5-(4-chloro-3-methylphenyl)-N-cyclohexyl-4-cyclopentyl-3,4-dihydropyrazole-2-carboxamide
PubChem CID71460195
Molecular FormulaC22H30ClN3O
Molecular Weight387.96 g/mol
Exact Mass387.21
IUPAC Name5-(4-chloro-3-methylphenyl)-N-cyclohexyl-4-cyclopentyl-3,4-dihydropyrazole-2-carboxamide
SMILESCc1cc(C2=NN(C(=O)NC3CCCCC3)CC2C2CCCC2)ccc1Cl
InChIInChI=1S/C22H30ClN3O/c1-15-13-17(11-12-20(15)23)21-19(16-7-5-6-8-16)14-26(25-21)22(27)24-18-9-3-2-4-10-18/h11-13,16,18-19H,2-10,14H2,1H3,(H,24,27)
InChIKeyXJTZVQABWKWVIS-UHFFFAOYSA-N
XLogP5.52
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.96
LogP ≤ 55.52
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-cyclopentyl-3,4-dihydropyrazole-2-carboxamide?
The IUPAC name of 5-(4-chloro-3-methylphenyl)-N-cyclohexyl-4-cyclopentyl-3,4-dihydropyrazole-2-carboxamide (CID 71460195) is 5-(4-chloro-3-methylphenyl)-N-cyclohexyl-4-cyclopentyl-3,4-dihydropyrazole-2-carboxamide.
What is the SMILES notation for 5-(4-chloro-3-methylphenyl)-N-cyclohexyl-4-cyclopentyl-3,4-dihydropyrazole-2-carboxamide?
The canonical SMILES for 5-(4-chloro-3-methylphenyl)-N-cyclohexyl-4-cyclopentyl-3,4-dihydropyrazole-2-carboxamide is Cc1cc(C2=NN(C(=O)NC3CCCCC3)CC2C2CCCC2)ccc1Cl.
What is the InChIKey of 5-(4-chloro-3-methylphenyl)-N-cyclohexyl-4-cyclopentyl-3,4-dihydropyrazole-2-carboxamide?
The InChIKey is XJTZVQABWKWVIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30ClN3O/c1-15-13-17(11-12-20(15)23)21-19(16-7-5-6-8-16)14-26(25-21)22(27)24-18-9-3-2-4-10-18/h11-13,16,18-19H,2-10,14H2,1H3,(H,24,27).
What are the key properties of 5-(4-chloro-3-methylphenyl)-N-cyclohexyl-4-cyclopentyl-3,4-dihydropyrazole-2-carboxamide?
5-(4-chloro-3-methylphenyl)-N-cyclohexyl-4-cyclopentyl-3,4-dihydropyrazole-2-carboxamide has a molecular weight of 387.96 g/mol, XLogP of 5.52, 3 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-cyclopentyl-3,4-dihydropyrazole-2-carboxamide is sourced from PubChem (CID 71460195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).