1-phenyl-N-[(E)-pyridin-3-ylmethylideneamino]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide

C19H17N5O — CID 110527620

IUPAC1-phenyl-N-[(E)-pyridin-3-ylmethylideneamino]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
SMILESO=C(N/N=C/c1cccnc1)c1nn(-c2ccccc2)c2c1CCC2
InChIInChI=1S/C19H17N5O/c25-19(22-21-13-14-6-5-11-20-12-14)18-16-9-4-10-17(16)24(23-18)15-7-2-1-3-8-15/h1-3,5-8,11-13H,4,9-10H2,(H,22,25)/b21-13+
InChIKeyKSXGLFLLDDSBSU-FYJGNVAPSA-N
MW331.38 g/mol
LogP2.52
Rot. Bonds4

About 1-phenyl-N-[(E)-pyridin-3-ylmethylideneamino]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide

1-phenyl-N-[(E)-pyridin-3-ylmethylideneamino]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide (PubChem CID 110527620) has the molecular formula C19H17N5O and a molecular weight of 331.38 g/mol. Its IUPAC name is 1-phenyl-N-[(E)-pyridin-3-ylmethylideneamino]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-phenyl-N-[(E)-pyridin-3-ylmethylideneamino]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
PubChem CID110527620
Molecular FormulaC19H17N5O
Molecular Weight331.38 g/mol
Exact Mass331.14
IUPAC Name1-phenyl-N-[(E)-pyridin-3-ylmethylideneamino]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
SMILESO=C(N/N=C/c1cccnc1)c1nn(-c2ccccc2)c2c1CCC2
InChIInChI=1S/C19H17N5O/c25-19(22-21-13-14-6-5-11-20-12-14)18-16-9-4-10-17(16)24(23-18)15-7-2-1-3-8-15/h1-3,5-8,11-13H,4,9-10H2,(H,22,25)/b21-13+
InChIKeyKSXGLFLLDDSBSU-FYJGNVAPSA-N
XLogP2.52
TPSA72.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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Related Compounds

N-[(E)-(4-tert-butylphenyl)methylideneamino]-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 110527585
1,5-diphenyl-N-[(Z)-pyridin-3-ylmethylideneamino]-1,2,4-triazole-3-carboxamide
CID 29227850
2-[(E)-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl)hydrazinylidene]methyl]benzoic acid
CID 110527581
N-[(E)-(2,6-dichlorophenyl)methylideneamino]-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 110527608
1-phenyl-N-[(E)-(3-propoxyphenyl)methylideneamino]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 110527502
N-[(E)-(3-ethoxy-4-methoxyphenyl)methylideneamino]-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 110527492
1-phenyl-N-(pyridin-3-ylmethyl)-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 110374242
1-phenyl-N'-(pyrazine-2-carbonyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbohydrazide
CID 24618570
N-[(E)-[2-(2-methylpropoxy)phenyl]methylideneamino]-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 110527523
N-(pyridin-3-ylmethylideneamino)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 744810
N'-benzoyl-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbohydrazide
CID 46682483
N-benzyl-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 17492126

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N-[(E)-pyridin-3-ylmethylideneamino]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
The IUPAC name of 1-phenyl-N-[(E)-pyridin-3-ylmethylideneamino]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide (CID 110527620) is 1-phenyl-N-[(E)-pyridin-3-ylmethylideneamino]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide.
What is the SMILES notation for 1-phenyl-N-[(E)-pyridin-3-ylmethylideneamino]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
The canonical SMILES for 1-phenyl-N-[(E)-pyridin-3-ylmethylideneamino]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide is O=C(N/N=C/c1cccnc1)c1nn(-c2ccccc2)c2c1CCC2.
What is the InChIKey of 1-phenyl-N-[(E)-pyridin-3-ylmethylideneamino]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
The InChIKey is KSXGLFLLDDSBSU-FYJGNVAPSA-N. The full InChI is InChI=1S/C19H17N5O/c25-19(22-21-13-14-6-5-11-20-12-14)18-16-9-4-10-17(16)24(23-18)15-7-2-1-3-8-15/h1-3,5-8,11-13H,4,9-10H2,(H,22,25)/b21-13+.
What are the key properties of 1-phenyl-N-[(E)-pyridin-3-ylmethylideneamino]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
1-phenyl-N-[(E)-pyridin-3-ylmethylideneamino]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide has a molecular weight of 331.38 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-[(E)-pyridin-3-ylmethylideneamino]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide is sourced from PubChem (CID 110527620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).