N-(cyclohexylideneamino)-3-phenyl-1H-pyrazole-5-carboxamide

C16H18N4O — CID 820056

IUPACN-(cyclohexylideneamino)-3-phenyl-1H-pyrazole-5-carboxamide
SMILESO=C(NN=C1CCCCC1)c1cc(-c2ccccc2)n[nH]1
InChIInChI=1S/C16H18N4O/c21-16(20-17-13-9-5-2-6-10-13)15-11-14(18-19-15)12-7-3-1-4-8-12/h1,3-4,7-8,11H,2,5-6,9-10H2,(H,18,19)(H,20,21)
InChIKeyGPKWBGJTCAIEKL-UHFFFAOYSA-N
MW282.35 g/mol
LogP3.13
Rot. Bonds3

About N-(cyclohexylideneamino)-3-phenyl-1H-pyrazole-5-carboxamide

N-(cyclohexylideneamino)-3-phenyl-1H-pyrazole-5-carboxamide (PubChem CID 820056) has the molecular formula C16H18N4O and a molecular weight of 282.35 g/mol. Its IUPAC name is N-(cyclohexylideneamino)-3-phenyl-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(cyclohexylideneamino)-3-phenyl-1H-pyrazole-5-carboxamide
PubChem CID820056
Molecular FormulaC16H18N4O
Molecular Weight282.35 g/mol
Exact Mass282.15
IUPAC NameN-(cyclohexylideneamino)-3-phenyl-1H-pyrazole-5-carboxamide
SMILESO=C(NN=C1CCCCC1)c1cc(-c2ccccc2)n[nH]1
InChIInChI=1S/C16H18N4O/c21-16(20-17-13-9-5-2-6-10-13)15-11-14(18-19-15)12-7-3-1-4-8-12/h1,3-4,7-8,11H,2,5-6,9-10H2,(H,18,19)(H,20,21)
InChIKeyGPKWBGJTCAIEKL-UHFFFAOYSA-N
XLogP3.13
TPSA70.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-(cyclohexylideneamino)-3-phenyl-1H-pyrazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylideneamino)-3-phenyl-1H-pyrazole-5-carboxamide?
The IUPAC name of N-(cyclohexylideneamino)-3-phenyl-1H-pyrazole-5-carboxamide (CID 820056) is N-(cyclohexylideneamino)-3-phenyl-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-(cyclohexylideneamino)-3-phenyl-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-(cyclohexylideneamino)-3-phenyl-1H-pyrazole-5-carboxamide is O=C(NN=C1CCCCC1)c1cc(-c2ccccc2)n[nH]1.
What is the InChIKey of N-(cyclohexylideneamino)-3-phenyl-1H-pyrazole-5-carboxamide?
The InChIKey is GPKWBGJTCAIEKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O/c21-16(20-17-13-9-5-2-6-10-13)15-11-14(18-19-15)12-7-3-1-4-8-12/h1,3-4,7-8,11H,2,5-6,9-10H2,(H,18,19)(H,20,21).
What are the key properties of N-(cyclohexylideneamino)-3-phenyl-1H-pyrazole-5-carboxamide?
N-(cyclohexylideneamino)-3-phenyl-1H-pyrazole-5-carboxamide has a molecular weight of 282.35 g/mol, XLogP of 3.13, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylideneamino)-3-phenyl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 820056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).