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

C18H15FN4O — CID 6143430

IUPAC3-(4-fluorophenyl)-N-[(Z)-1-phenylethylideneamino]-1H-pyrazole-5-carboxamide
SMILESC/C(=N/NC(=O)c1cc(-c2ccc(F)cc2)n[nH]1)c1ccccc1
InChIInChI=1S/C18H15FN4O/c1-12(13-5-3-2-4-6-13)20-23-18(24)17-11-16(21-22-17)14-7-9-15(19)10-8-14/h2-11H,1H3,(H,21,22)(H,23,24)/b20-12-
InChIKeyGORXWDNEMOMILF-NDENLUEZSA-N
MW322.34 g/mol
LogP3.37
Rot. Bonds4

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

3-(4-fluorophenyl)-N-[(Z)-1-phenylethylideneamino]-1H-pyrazole-5-carboxamide (PubChem CID 6143430) has the molecular formula C18H15FN4O and a molecular weight of 322.34 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N-[(Z)-1-phenylethylideneamino]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N-[(Z)-1-phenylethylideneamino]-1H-pyrazole-5-carboxamide
PubChem CID6143430
Molecular FormulaC18H15FN4O
Molecular Weight322.34 g/mol
Exact Mass322.12
IUPAC Name3-(4-fluorophenyl)-N-[(Z)-1-phenylethylideneamino]-1H-pyrazole-5-carboxamide
SMILESC/C(=N/NC(=O)c1cc(-c2ccc(F)cc2)n[nH]1)c1ccccc1
InChIInChI=1S/C18H15FN4O/c1-12(13-5-3-2-4-6-13)20-23-18(24)17-11-16(21-22-17)14-7-9-15(19)10-8-14/h2-11H,1H3,(H,21,22)(H,23,24)/b20-12-
InChIKeyGORXWDNEMOMILF-NDENLUEZSA-N
XLogP3.37
TPSA70.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.34
LogP ≤ 53.37
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

N-[(Z)-1-(4-methylphenyl)ethylideneamino]-3-(4-phenylphenyl)-1H-pyrazole-5-carboxamide
CID 6116965
3-(4-fluorophenyl)-N-[1-(3-hydroxyphenyl)ethylideneamino]-1H-pyrazole-5-carboxamide
CID 761753
3-(4-fluorophenyl)-N-(1-naphthalen-2-ylethylideneamino)-1H-pyrazole-5-carboxamide
CID 1185508
3-(4-fluorophenyl)-N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]-1H-pyrazole-5-carboxamide
CID 6382712
3-(4-ethoxyphenyl)-N-(1-phenylethylideneamino)-1H-pyrazole-5-carboxamide
CID 687657
3-(4-fluorophenyl)-N-[1-(3-methoxyphenyl)ethylideneamino]-1H-pyrazole-5-carboxamide
CID 3879162
3-(4-ethylphenyl)-N-[(Z)-1-(4-phenylphenyl)ethylideneamino]-1H-pyrazole-5-carboxamide
CID 6044027
N-[(Z)-1-(4-nitrophenyl)ethylideneamino]-3-(4-phenylphenyl)-1H-pyrazole-5-carboxamide
CID 6105906
N-[(E)-1-(4-fluorophenyl)ethylideneamino]-3-[4-(2-methylpropyl)phenyl]-1H-pyrazole-5-carboxamide
CID 46497922
N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide
CID 135625926
3-(3,4-dimethoxyphenyl)-N-[1-(4-phenylphenyl)ethylideneamino]-1H-pyrazole-5-carboxamide
CID 3944930
N-[1-(3-nitrophenyl)ethylideneamino]-3-phenyl-1H-pyrazole-5-carboxamide
CID 869991

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-N-[(Z)-1-phenylethylideneamino]-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-(4-fluorophenyl)-N-[(Z)-1-phenylethylideneamino]-1H-pyrazole-5-carboxamide (CID 6143430) is 3-(4-fluorophenyl)-N-[(Z)-1-phenylethylideneamino]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-(4-fluorophenyl)-N-[(Z)-1-phenylethylideneamino]-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-(4-fluorophenyl)-N-[(Z)-1-phenylethylideneamino]-1H-pyrazole-5-carboxamide is C/C(=N/NC(=O)c1cc(-c2ccc(F)cc2)n[nH]1)c1ccccc1.
What is the InChIKey of 3-(4-fluorophenyl)-N-[(Z)-1-phenylethylideneamino]-1H-pyrazole-5-carboxamide?
The InChIKey is GORXWDNEMOMILF-NDENLUEZSA-N. The full InChI is InChI=1S/C18H15FN4O/c1-12(13-5-3-2-4-6-13)20-23-18(24)17-11-16(21-22-17)14-7-9-15(19)10-8-14/h2-11H,1H3,(H,21,22)(H,23,24)/b20-12-.
What are the key properties of 3-(4-fluorophenyl)-N-[(Z)-1-phenylethylideneamino]-1H-pyrazole-5-carboxamide?
3-(4-fluorophenyl)-N-[(Z)-1-phenylethylideneamino]-1H-pyrazole-5-carboxamide has a molecular weight of 322.34 g/mol, XLogP of 3.37, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-N-[(Z)-1-phenylethylideneamino]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 6143430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).