4-benzyl-N-cyclohexyl-5-phenyl-3,4-dihydropyrazole-2-carboxamide

C23H27N3O — CID 71458353

IUPAC4-benzyl-N-cyclohexyl-5-phenyl-3,4-dihydropyrazole-2-carboxamide
SMILESO=C(NC1CCCCC1)N1CC(Cc2ccccc2)C(c2ccccc2)=N1
InChIInChI=1S/C23H27N3O/c27-23(24-21-14-8-3-9-15-21)26-17-20(16-18-10-4-1-5-11-18)22(25-26)19-12-6-2-7-13-19/h1-2,4-7,10-13,20-21H,3,8-9,14-17H2,(H,24,27)
InChIKeyMMYHWSSYVWCYBE-UHFFFAOYSA-N
MW361.49 g/mol
LogP4.61
Rot. Bonds4

About 4-benzyl-N-cyclohexyl-5-phenyl-3,4-dihydropyrazole-2-carboxamide

4-benzyl-N-cyclohexyl-5-phenyl-3,4-dihydropyrazole-2-carboxamide (PubChem CID 71458353) has the molecular formula C23H27N3O and a molecular weight of 361.49 g/mol. Its IUPAC name is 4-benzyl-N-cyclohexyl-5-phenyl-3,4-dihydropyrazole-2-carboxamide.

Molecular Properties

Compound Name4-benzyl-N-cyclohexyl-5-phenyl-3,4-dihydropyrazole-2-carboxamide
PubChem CID71458353
Molecular FormulaC23H27N3O
Molecular Weight361.49 g/mol
Exact Mass361.22
IUPAC Name4-benzyl-N-cyclohexyl-5-phenyl-3,4-dihydropyrazole-2-carboxamide
SMILESO=C(NC1CCCCC1)N1CC(Cc2ccccc2)C(c2ccccc2)=N1
InChIInChI=1S/C23H27N3O/c27-23(24-21-14-8-3-9-15-21)26-17-20(16-18-10-4-1-5-11-18)22(25-26)19-12-6-2-7-13-19/h1-2,4-7,10-13,20-21H,3,8-9,14-17H2,(H,24,27)
InChIKeyMMYHWSSYVWCYBE-UHFFFAOYSA-N
XLogP4.61
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-benzyl-N-cyclohexyl-5-phenyl-3,4-dihydropyrazole-2-carboxamide?
The IUPAC name of 4-benzyl-N-cyclohexyl-5-phenyl-3,4-dihydropyrazole-2-carboxamide (CID 71458353) is 4-benzyl-N-cyclohexyl-5-phenyl-3,4-dihydropyrazole-2-carboxamide.
What is the SMILES notation for 4-benzyl-N-cyclohexyl-5-phenyl-3,4-dihydropyrazole-2-carboxamide?
The canonical SMILES for 4-benzyl-N-cyclohexyl-5-phenyl-3,4-dihydropyrazole-2-carboxamide is O=C(NC1CCCCC1)N1CC(Cc2ccccc2)C(c2ccccc2)=N1.
What is the InChIKey of 4-benzyl-N-cyclohexyl-5-phenyl-3,4-dihydropyrazole-2-carboxamide?
The InChIKey is MMYHWSSYVWCYBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O/c27-23(24-21-14-8-3-9-15-21)26-17-20(16-18-10-4-1-5-11-18)22(25-26)19-12-6-2-7-13-19/h1-2,4-7,10-13,20-21H,3,8-9,14-17H2,(H,24,27).
What are the key properties of 4-benzyl-N-cyclohexyl-5-phenyl-3,4-dihydropyrazole-2-carboxamide?
4-benzyl-N-cyclohexyl-5-phenyl-3,4-dihydropyrazole-2-carboxamide has a molecular weight of 361.49 g/mol, XLogP of 4.61, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-N-cyclohexyl-5-phenyl-3,4-dihydropyrazole-2-carboxamide is sourced from PubChem (CID 71458353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).