3-(4-fluorophenyl)-N-[(2-fluorophenyl)methylideneamino]-1H-pyrazole-5-carboxamide

C17H12F2N4O — CID 4563206

IUPAC3-(4-fluorophenyl)-N-[(2-fluorophenyl)methylideneamino]-1H-pyrazole-5-carboxamide
SMILESO=C(NN=Cc1ccccc1F)c1cc(-c2ccc(F)cc2)n[nH]1
InChIInChI=1S/C17H12F2N4O/c18-13-7-5-11(6-8-13)15-9-16(22-21-15)17(24)23-20-10-12-3-1-2-4-14(12)19/h1-10H,(H,21,22)(H,23,24)
InChIKeyUKSLREHQPOXZBS-UHFFFAOYSA-N
MW326.31 g/mol
LogP3.12
Rot. Bonds4

About 3-(4-fluorophenyl)-N-[(2-fluorophenyl)methylideneamino]-1H-pyrazole-5-carboxamide

3-(4-fluorophenyl)-N-[(2-fluorophenyl)methylideneamino]-1H-pyrazole-5-carboxamide (PubChem CID 4563206) has the molecular formula C17H12F2N4O and a molecular weight of 326.31 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N-[(2-fluorophenyl)methylideneamino]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N-[(2-fluorophenyl)methylideneamino]-1H-pyrazole-5-carboxamide
PubChem CID4563206
Molecular FormulaC17H12F2N4O
Molecular Weight326.31 g/mol
Exact Mass326.10
IUPAC Name3-(4-fluorophenyl)-N-[(2-fluorophenyl)methylideneamino]-1H-pyrazole-5-carboxamide
SMILESO=C(NN=Cc1ccccc1F)c1cc(-c2ccc(F)cc2)n[nH]1
InChIInChI=1S/C17H12F2N4O/c18-13-7-5-11(6-8-13)15-9-16(22-21-15)17(24)23-20-10-12-3-1-2-4-14(12)19/h1-10H,(H,21,22)(H,23,24)
InChIKeyUKSLREHQPOXZBS-UHFFFAOYSA-N
XLogP3.12
TPSA70.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.31
LogP ≤ 53.12
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-[(E)-(2-fluorophenyl)methylideneamino]-3-phenyl-1H-pyrazole-5-carboxamide
CID 6897161
N-[(E)-(2-fluorophenyl)methylideneamino]-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 6890815
N-[(2-ethoxyphenyl)methylideneamino]-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 1128539
N-[(E)-(4-fluorophenyl)methylideneamino]-3-phenyl-1H-pyrazole-5-carboxamide
CID 6867328
3-(4-chlorophenyl)-N-[(2-methylphenyl)methylideneamino]-1H-pyrazole-5-carboxamide
CID 3595783
N-[(E)-(2-fluorophenyl)methylideneamino]-2-oxo-4-phenyl-1H-pyrimidine-6-carboxamide
CID 110525467
2-[[(3-phenyl-1H-pyrazole-5-carbonyl)hydrazinylidene]methyl]benzoic acid
CID 2048561
4-fluoro-N-[(E)-(2-fluorophenyl)methylideneamino]benzamide
CID 5333160
N-(anthracen-9-ylmethylideneamino)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 2041756
3-(4-fluorophenyl)-N-(pyridin-4-ylmethylideneamino)-1H-pyrazole-5-carboxamide
CID 761755
N-[(E)-(3-fluorophenyl)methylideneamino]-3-phenyl-1H-pyrazole-5-carboxamide
CID 6890964
3-(4-fluorophenyl)-N-[(3-hydroxyphenyl)methylideneamino]-1H-pyrazole-5-carboxamide
CID 761754

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-N-[(2-fluorophenyl)methylideneamino]-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-(4-fluorophenyl)-N-[(2-fluorophenyl)methylideneamino]-1H-pyrazole-5-carboxamide (CID 4563206) is 3-(4-fluorophenyl)-N-[(2-fluorophenyl)methylideneamino]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-(4-fluorophenyl)-N-[(2-fluorophenyl)methylideneamino]-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-(4-fluorophenyl)-N-[(2-fluorophenyl)methylideneamino]-1H-pyrazole-5-carboxamide is O=C(NN=Cc1ccccc1F)c1cc(-c2ccc(F)cc2)n[nH]1.
What is the InChIKey of 3-(4-fluorophenyl)-N-[(2-fluorophenyl)methylideneamino]-1H-pyrazole-5-carboxamide?
The InChIKey is UKSLREHQPOXZBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F2N4O/c18-13-7-5-11(6-8-13)15-9-16(22-21-15)17(24)23-20-10-12-3-1-2-4-14(12)19/h1-10H,(H,21,22)(H,23,24).
What are the key properties of 3-(4-fluorophenyl)-N-[(2-fluorophenyl)methylideneamino]-1H-pyrazole-5-carboxamide?
3-(4-fluorophenyl)-N-[(2-fluorophenyl)methylideneamino]-1H-pyrazole-5-carboxamide has a molecular weight of 326.31 g/mol, XLogP of 3.12, 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-[(2-fluorophenyl)methylideneamino]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 4563206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).