4-[[5-(4-fluorophenyl)-1H-pyrazol-3-yl]amino]benzamide

C16H13FN4O — CID 44588220

IUPAC4-[[5-(4-fluorophenyl)-1H-pyrazol-3-yl]amino]benzamide
SMILESNC(=O)c1ccc(Nc2cc(-c3ccc(F)cc3)[nH]n2)cc1
InChIInChI=1S/C16H13FN4O/c17-12-5-1-10(2-6-12)14-9-15(21-20-14)19-13-7-3-11(4-8-13)16(18)22/h1-9H,(H2,18,22)(H2,19,20,21)
InChIKeyQKAONCSNINNEGU-UHFFFAOYSA-N
MW296.31 g/mol
LogP3.06
Rot. Bonds4

About 4-[[5-(4-fluorophenyl)-1H-pyrazol-3-yl]amino]benzamide

4-[[5-(4-fluorophenyl)-1H-pyrazol-3-yl]amino]benzamide (PubChem CID 44588220) has the molecular formula C16H13FN4O and a molecular weight of 296.31 g/mol. Its IUPAC name is 4-[[5-(4-fluorophenyl)-1H-pyrazol-3-yl]amino]benzamide.

Molecular Properties

Compound Name4-[[5-(4-fluorophenyl)-1H-pyrazol-3-yl]amino]benzamide
PubChem CID44588220
Molecular FormulaC16H13FN4O
Molecular Weight296.31 g/mol
Exact Mass296.11
IUPAC Name4-[[5-(4-fluorophenyl)-1H-pyrazol-3-yl]amino]benzamide
SMILESNC(=O)c1ccc(Nc2cc(-c3ccc(F)cc3)[nH]n2)cc1
InChIInChI=1S/C16H13FN4O/c17-12-5-1-10(2-6-12)14-9-15(21-20-14)19-13-7-3-11(4-8-13)16(18)22/h1-9H,(H2,18,22)(H2,19,20,21)
InChIKeyQKAONCSNINNEGU-UHFFFAOYSA-N
XLogP3.06
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.31
LogP ≤ 53.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-Cyclopropyl-1h-Pyrazol-3-Yl)Benzamide
CID 449088
N-(1,3-diphenyl-1H-pyrazol-5-yl)benzamide
CID 4156919
N1-(3-phenyl-1H-pyrazol-5-yl)-4-chlorobenzamide
CID 339736
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-fluoro-2-phenylacetamide
CID 5330942
N-(5-Cyclopropyl-1h-Pyrazol-3-Yl)benzene-1,4-Dicarboxamide
CID 5330977
N-(5-cyclopropyl-1H-pyrazol-3-yl)-3-(trifluoromethyl)benzamide
CID 5330981
4-{[(5-cyclopropyl-1H-pyrazol-3-yl)carbamoyl]methyl}benzamide
CID 5330999
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-(3-fluorophenyl)phenyl]acetamide
CID 5331004
3-Phenylacetamidoaminopyrazole deriv. 39
CID 6538741
4-(4-Methyl-piperazin-1-yl)-N-(5-phenylacetyl-1,4,5,6-tetrahydro-pyrrolo[3,4-c]pyrazol-3-yl)-benzamide
CID 11305344
VU-1545
CID 11625520
4-[(5-Methyl-1h-Pyrazol-3-Yl)amino]-2-Phenylphthalazin-1(2h)-One
CID 11652621

Frequently Asked Questions

What is the IUPAC name of 4-[[5-(4-fluorophenyl)-1H-pyrazol-3-yl]amino]benzamide?
The IUPAC name of 4-[[5-(4-fluorophenyl)-1H-pyrazol-3-yl]amino]benzamide (CID 44588220) is 4-[[5-(4-fluorophenyl)-1H-pyrazol-3-yl]amino]benzamide.
What is the SMILES notation for 4-[[5-(4-fluorophenyl)-1H-pyrazol-3-yl]amino]benzamide?
The canonical SMILES for 4-[[5-(4-fluorophenyl)-1H-pyrazol-3-yl]amino]benzamide is NC(=O)c1ccc(Nc2cc(-c3ccc(F)cc3)[nH]n2)cc1.
What is the InChIKey of 4-[[5-(4-fluorophenyl)-1H-pyrazol-3-yl]amino]benzamide?
The InChIKey is QKAONCSNINNEGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN4O/c17-12-5-1-10(2-6-12)14-9-15(21-20-14)19-13-7-3-11(4-8-13)16(18)22/h1-9H,(H2,18,22)(H2,19,20,21).
What are the key properties of 4-[[5-(4-fluorophenyl)-1H-pyrazol-3-yl]amino]benzamide?
4-[[5-(4-fluorophenyl)-1H-pyrazol-3-yl]amino]benzamide has a molecular weight of 296.31 g/mol, XLogP of 3.06, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(4-fluorophenyl)-1H-pyrazol-3-yl]amino]benzamide is sourced from PubChem (CID 44588220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).