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

C15H16N4O — CID 820058

IUPACN-(cyclopentylideneamino)-3-phenyl-1H-pyrazole-5-carboxamide
SMILESO=C(NN=C1CCCC1)c1cc(-c2ccccc2)n[nH]1
InChIInChI=1S/C15H16N4O/c20-15(19-16-12-8-4-5-9-12)14-10-13(17-18-14)11-6-2-1-3-7-11/h1-3,6-7,10H,4-5,8-9H2,(H,17,18)(H,19,20)
InChIKeyIABHZYFXUKMTDT-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.74
Rot. Bonds3

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

N-(cyclopentylideneamino)-3-phenyl-1H-pyrazole-5-carboxamide (PubChem CID 820058) has the molecular formula C15H16N4O and a molecular weight of 268.32 g/mol. Its IUPAC name is N-(cyclopentylideneamino)-3-phenyl-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(cyclopentylideneamino)-3-phenyl-1H-pyrazole-5-carboxamide
PubChem CID820058
Molecular FormulaC15H16N4O
Molecular Weight268.32 g/mol
Exact Mass268.13
IUPAC NameN-(cyclopentylideneamino)-3-phenyl-1H-pyrazole-5-carboxamide
SMILESO=C(NN=C1CCCC1)c1cc(-c2ccccc2)n[nH]1
InChIInChI=1S/C15H16N4O/c20-15(19-16-12-8-4-5-9-12)14-10-13(17-18-14)11-6-2-1-3-7-11/h1-3,6-7,10H,4-5,8-9H2,(H,17,18)(H,19,20)
InChIKeyIABHZYFXUKMTDT-UHFFFAOYSA-N
XLogP2.74
TPSA70.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.74
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'}

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopentylideneamino)-3-phenyl-1H-pyrazole-5-carboxamide?
The IUPAC name of N-(cyclopentylideneamino)-3-phenyl-1H-pyrazole-5-carboxamide (CID 820058) is N-(cyclopentylideneamino)-3-phenyl-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-(cyclopentylideneamino)-3-phenyl-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-(cyclopentylideneamino)-3-phenyl-1H-pyrazole-5-carboxamide is O=C(NN=C1CCCC1)c1cc(-c2ccccc2)n[nH]1.
What is the InChIKey of N-(cyclopentylideneamino)-3-phenyl-1H-pyrazole-5-carboxamide?
The InChIKey is IABHZYFXUKMTDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O/c20-15(19-16-12-8-4-5-9-12)14-10-13(17-18-14)11-6-2-1-3-7-11/h1-3,6-7,10H,4-5,8-9H2,(H,17,18)(H,19,20).
What are the key properties of N-(cyclopentylideneamino)-3-phenyl-1H-pyrazole-5-carboxamide?
N-(cyclopentylideneamino)-3-phenyl-1H-pyrazole-5-carboxamide has a molecular weight of 268.32 g/mol, XLogP of 2.74, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopentylideneamino)-3-phenyl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 820058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).