1-(3-fluorophenyl)-N-[2-(1,2,4-triazol-1-yl)phenyl]pyrazole-3-carboxamide

C18H13FN6O — CID 47852920

IUPAC1-(3-fluorophenyl)-N-[2-(1,2,4-triazol-1-yl)phenyl]pyrazole-3-carboxamide
SMILESO=C(Nc1ccccc1-n1cncn1)c1ccn(-c2cccc(F)c2)n1
InChIInChI=1S/C18H13FN6O/c19-13-4-3-5-14(10-13)24-9-8-16(23-24)18(26)22-15-6-1-2-7-17(15)25-12-20-11-21-25/h1-12H,(H,22,26)
InChIKeyXNFWJXOAATZHLG-UHFFFAOYSA-N
MW348.34 g/mol
LogP2.84
Rot. Bonds4

About 1-(3-fluorophenyl)-N-[2-(1,2,4-triazol-1-yl)phenyl]pyrazole-3-carboxamide

1-(3-fluorophenyl)-N-[2-(1,2,4-triazol-1-yl)phenyl]pyrazole-3-carboxamide (PubChem CID 47852920) has the molecular formula C18H13FN6O and a molecular weight of 348.34 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-N-[2-(1,2,4-triazol-1-yl)phenyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(3-fluorophenyl)-N-[2-(1,2,4-triazol-1-yl)phenyl]pyrazole-3-carboxamide
PubChem CID47852920
Molecular FormulaC18H13FN6O
Molecular Weight348.34 g/mol
Exact Mass348.11
IUPAC Name1-(3-fluorophenyl)-N-[2-(1,2,4-triazol-1-yl)phenyl]pyrazole-3-carboxamide
SMILESO=C(Nc1ccccc1-n1cncn1)c1ccn(-c2cccc(F)c2)n1
InChIInChI=1S/C18H13FN6O/c19-13-4-3-5-14(10-13)24-9-8-16(23-24)18(26)22-15-6-1-2-7-17(15)25-12-20-11-21-25/h1-12H,(H,22,26)
InChIKeyXNFWJXOAATZHLG-UHFFFAOYSA-N
XLogP2.84
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.34
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1-benzothiophen-7-yl)-1-(3-fluorophenyl)pyrazole-3-carboxamide
CID 154857565
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CID 47882488
1-(3-fluorophenyl)-N-[2-(prop-2-enylcarbamoyl)phenyl]pyrazole-3-carboxamide
CID 47849771
5-fluoro-2-methoxy-N-[2-(1,2,4-triazol-1-yl)phenyl]benzamide
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1-(3-fluorophenyl)-N-[2-methyl-4-(propan-2-ylcarbamoyl)phenyl]pyrazole-3-carboxamide
CID 47859630
1-(3-fluorophenyl)-N-[4-fluoro-3-(prop-2-enoylamino)phenyl]pyrazole-3-carboxamide
CID 166405448
2-chloro-N-[2-(1,2,4-triazol-1-yl)phenyl]acetamide
CID 43699115
5-bromo-2-chloro-N-[2-(1,2,4-triazol-1-yl)phenyl]benzamide
CID 55573291
5-hydroxy-N-[2-(1,2,4-triazol-1-yl)phenyl]pyridine-3-carboxamide
CID 63859919
3-fluoro-N-[2-(1,2,4-triazol-1-yl)phenyl]benzenesulfonamide
CID 35367858
N-(1-amino-2-methyl-1-oxopropan-2-yl)-1-(3-fluorophenyl)pyrazole-3-carboxamide
CID 47896374
1-(3-chlorophenyl)-N-[2-(4-ethylpiperazin-1-yl)phenyl]pyrazole-3-carboxamide
CID 55925377

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-N-[2-(1,2,4-triazol-1-yl)phenyl]pyrazole-3-carboxamide?
The IUPAC name of 1-(3-fluorophenyl)-N-[2-(1,2,4-triazol-1-yl)phenyl]pyrazole-3-carboxamide (CID 47852920) is 1-(3-fluorophenyl)-N-[2-(1,2,4-triazol-1-yl)phenyl]pyrazole-3-carboxamide.
What is the SMILES notation for 1-(3-fluorophenyl)-N-[2-(1,2,4-triazol-1-yl)phenyl]pyrazole-3-carboxamide?
The canonical SMILES for 1-(3-fluorophenyl)-N-[2-(1,2,4-triazol-1-yl)phenyl]pyrazole-3-carboxamide is O=C(Nc1ccccc1-n1cncn1)c1ccn(-c2cccc(F)c2)n1.
What is the InChIKey of 1-(3-fluorophenyl)-N-[2-(1,2,4-triazol-1-yl)phenyl]pyrazole-3-carboxamide?
The InChIKey is XNFWJXOAATZHLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13FN6O/c19-13-4-3-5-14(10-13)24-9-8-16(23-24)18(26)22-15-6-1-2-7-17(15)25-12-20-11-21-25/h1-12H,(H,22,26).
What are the key properties of 1-(3-fluorophenyl)-N-[2-(1,2,4-triazol-1-yl)phenyl]pyrazole-3-carboxamide?
1-(3-fluorophenyl)-N-[2-(1,2,4-triazol-1-yl)phenyl]pyrazole-3-carboxamide has a molecular weight of 348.34 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-N-[2-(1,2,4-triazol-1-yl)phenyl]pyrazole-3-carboxamide is sourced from PubChem (CID 47852920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).