5-cyclopropyl-N-[(Z)-1-(4-fluorophenyl)ethylideneamino]-1H-pyrazole-3-carboxamide

C15H15FN4O — CID 5424926

IUPAC5-cyclopropyl-N-[(Z)-1-(4-fluorophenyl)ethylideneamino]-1H-pyrazole-3-carboxamide
SMILESC/C(=N/NC(=O)c1cc(C2CC2)[nH]n1)c1ccc(F)cc1
InChIInChI=1S/C15H15FN4O/c1-9(10-4-6-12(16)7-5-10)17-20-15(21)14-8-13(18-19-14)11-2-3-11/h4-8,11H,2-3H2,1H3,(H,18,19)(H,20,21)/b17-9-
InChIKeyQTHXWKISXJGDLP-MFOYZWKCSA-N
MW286.31 g/mol
LogP2.58
Rot. Bonds4

About 5-cyclopropyl-N-[(Z)-1-(4-fluorophenyl)ethylideneamino]-1H-pyrazole-3-carboxamide

5-cyclopropyl-N-[(Z)-1-(4-fluorophenyl)ethylideneamino]-1H-pyrazole-3-carboxamide (PubChem CID 5424926) has the molecular formula C15H15FN4O and a molecular weight of 286.31 g/mol. Its IUPAC name is 5-cyclopropyl-N-[(Z)-1-(4-fluorophenyl)ethylideneamino]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-[(Z)-1-(4-fluorophenyl)ethylideneamino]-1H-pyrazole-3-carboxamide
PubChem CID5424926
Molecular FormulaC15H15FN4O
Molecular Weight286.31 g/mol
Exact Mass286.12
IUPAC Name5-cyclopropyl-N-[(Z)-1-(4-fluorophenyl)ethylideneamino]-1H-pyrazole-3-carboxamide
SMILESC/C(=N/NC(=O)c1cc(C2CC2)[nH]n1)c1ccc(F)cc1
InChIInChI=1S/C15H15FN4O/c1-9(10-4-6-12(16)7-5-10)17-20-15(21)14-8-13(18-19-14)11-2-3-11/h4-8,11H,2-3H2,1H3,(H,18,19)(H,20,21)/b17-9-
InChIKeyQTHXWKISXJGDLP-MFOYZWKCSA-N
XLogP2.58
TPSA70.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.31
LogP ≤ 52.58
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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Related Compounds

5-cyclopropyl-N-[1-(4-methylphenyl)ethylideneamino]-1H-pyrazole-3-carboxamide
CID 760934
5-cyclopropyl-N-(1-pyridin-4-ylethylideneamino)-1H-pyrazole-3-carboxamide
CID 946133
N-[(E)-1-(2-chlorophenyl)ethylideneamino]-5-cyclopropyl-1H-pyrazole-3-carboxamide
CID 51057011
5-cyclopropyl-N-(1-thiophen-2-ylethylideneamino)-1H-pyrazole-3-carboxamide
CID 930299
5-cyclopropyl-N-[(Z)-(4-fluorophenyl)methylideneamino]-1H-pyrazole-3-carboxamide
CID 5402389
N-[(Z)-1-(4-fluorophenyl)ethylideneamino]-3,4,5-trihydroxybenzamide
CID 6089848
N-[(Z)-1-(4-fluorophenyl)ethylideneamino]cyclopropanecarboxamide
CID 6078923
N-[1-[4-(dimethylamino)phenyl]ethylideneamino]-5-methyl-1H-pyrazole-3-carboxamide
CID 4284932
5-cyclopropyl-N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-1H-pyrazole-3-carboxamide
CID 5412764
N-[1-(4-ethylphenyl)ethylideneamino]-5-methyl-1H-pyrazole-3-carboxamide
CID 71951735
N-[(Z)-1-(4-fluorophenyl)ethylideneamino]acetamide
CID 6022107
N-[(Z)-1-(4-tert-butylphenyl)ethylideneamino]-4-fluorobenzamide
CID 6183873

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-[(Z)-1-(4-fluorophenyl)ethylideneamino]-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-cyclopropyl-N-[(Z)-1-(4-fluorophenyl)ethylideneamino]-1H-pyrazole-3-carboxamide (CID 5424926) is 5-cyclopropyl-N-[(Z)-1-(4-fluorophenyl)ethylideneamino]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-[(Z)-1-(4-fluorophenyl)ethylideneamino]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-[(Z)-1-(4-fluorophenyl)ethylideneamino]-1H-pyrazole-3-carboxamide is C/C(=N/NC(=O)c1cc(C2CC2)[nH]n1)c1ccc(F)cc1.
What is the InChIKey of 5-cyclopropyl-N-[(Z)-1-(4-fluorophenyl)ethylideneamino]-1H-pyrazole-3-carboxamide?
The InChIKey is QTHXWKISXJGDLP-MFOYZWKCSA-N. The full InChI is InChI=1S/C15H15FN4O/c1-9(10-4-6-12(16)7-5-10)17-20-15(21)14-8-13(18-19-14)11-2-3-11/h4-8,11H,2-3H2,1H3,(H,18,19)(H,20,21)/b17-9-.
What are the key properties of 5-cyclopropyl-N-[(Z)-1-(4-fluorophenyl)ethylideneamino]-1H-pyrazole-3-carboxamide?
5-cyclopropyl-N-[(Z)-1-(4-fluorophenyl)ethylideneamino]-1H-pyrazole-3-carboxamide has a molecular weight of 286.31 g/mol, XLogP of 2.58, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-[(Z)-1-(4-fluorophenyl)ethylideneamino]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 5424926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).