N-(cyclohexylmethyl)-5-pentyl-4-phenyl-3,4-dihydropyrazole-2-carboxamide

C22H33N3O — CID 24863531

IUPACN-(cyclohexylmethyl)-5-pentyl-4-phenyl-3,4-dihydropyrazole-2-carboxamide
SMILESCCCCCC1=NN(C(=O)NCC2CCCCC2)CC1c1ccccc1
InChIInChI=1S/C22H33N3O/c1-2-3-6-15-21-20(19-13-9-5-10-14-19)17-25(24-21)22(26)23-16-18-11-7-4-8-12-18/h5,9-10,13-14,18,20H,2-4,6-8,11-12,15-17H2,1H3,(H,23,26)
InChIKeyWURIOZZNHAKSDX-UHFFFAOYSA-N
MW355.53 g/mol
LogP5.31
Rot. Bonds7

About N-(cyclohexylmethyl)-5-pentyl-4-phenyl-3,4-dihydropyrazole-2-carboxamide

N-(cyclohexylmethyl)-5-pentyl-4-phenyl-3,4-dihydropyrazole-2-carboxamide (PubChem CID 24863531) has the molecular formula C22H33N3O and a molecular weight of 355.53 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-5-pentyl-4-phenyl-3,4-dihydropyrazole-2-carboxamide.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-5-pentyl-4-phenyl-3,4-dihydropyrazole-2-carboxamide
PubChem CID24863531
Molecular FormulaC22H33N3O
Molecular Weight355.53 g/mol
Exact Mass355.26
IUPAC NameN-(cyclohexylmethyl)-5-pentyl-4-phenyl-3,4-dihydropyrazole-2-carboxamide
SMILESCCCCCC1=NN(C(=O)NCC2CCCCC2)CC1c1ccccc1
InChIInChI=1S/C22H33N3O/c1-2-3-6-15-21-20(19-13-9-5-10-14-19)17-25(24-21)22(26)23-16-18-11-7-4-8-12-18/h5,9-10,13-14,18,20H,2-4,6-8,11-12,15-17H2,1H3,(H,23,26)
InChIKeyWURIOZZNHAKSDX-UHFFFAOYSA-N
XLogP5.31
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.53
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-5-pentyl-4-phenyl-3,4-dihydropyrazole-2-carboxamide?
The IUPAC name of N-(cyclohexylmethyl)-5-pentyl-4-phenyl-3,4-dihydropyrazole-2-carboxamide (CID 24863531) is N-(cyclohexylmethyl)-5-pentyl-4-phenyl-3,4-dihydropyrazole-2-carboxamide.
What is the SMILES notation for N-(cyclohexylmethyl)-5-pentyl-4-phenyl-3,4-dihydropyrazole-2-carboxamide?
The canonical SMILES for N-(cyclohexylmethyl)-5-pentyl-4-phenyl-3,4-dihydropyrazole-2-carboxamide is CCCCCC1=NN(C(=O)NCC2CCCCC2)CC1c1ccccc1.
What is the InChIKey of N-(cyclohexylmethyl)-5-pentyl-4-phenyl-3,4-dihydropyrazole-2-carboxamide?
The InChIKey is WURIOZZNHAKSDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N3O/c1-2-3-6-15-21-20(19-13-9-5-10-14-19)17-25(24-21)22(26)23-16-18-11-7-4-8-12-18/h5,9-10,13-14,18,20H,2-4,6-8,11-12,15-17H2,1H3,(H,23,26).
What are the key properties of N-(cyclohexylmethyl)-5-pentyl-4-phenyl-3,4-dihydropyrazole-2-carboxamide?
N-(cyclohexylmethyl)-5-pentyl-4-phenyl-3,4-dihydropyrazole-2-carboxamide has a molecular weight of 355.53 g/mol, XLogP of 5.31, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-5-pentyl-4-phenyl-3,4-dihydropyrazole-2-carboxamide is sourced from PubChem (CID 24863531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).