4-hydroxy-1-phenyl-N-[3-(trifluoromethoxy)phenyl]pyrazole-3-carboxamide

C17H12F3N3O3 — CID 112812529

IUPAC4-hydroxy-1-phenyl-N-[3-(trifluoromethoxy)phenyl]pyrazole-3-carboxamide
SMILESO=C(Nc1cccc(OC(F)(F)F)c1)c1nn(-c2ccccc2)cc1O
InChIInChI=1S/C17H12F3N3O3/c18-17(19,20)26-13-8-4-5-11(9-13)21-16(25)15-14(24)10-23(22-15)12-6-2-1-3-7-12/h1-10,24H,(H,21,25)
InChIKeyCMBDRESYNABTLP-UHFFFAOYSA-N
MW363.30 g/mol
LogP3.73
Rot. Bonds4

About 4-hydroxy-1-phenyl-N-[3-(trifluoromethoxy)phenyl]pyrazole-3-carboxamide

4-hydroxy-1-phenyl-N-[3-(trifluoromethoxy)phenyl]pyrazole-3-carboxamide (PubChem CID 112812529) has the molecular formula C17H12F3N3O3 and a molecular weight of 363.30 g/mol. Its IUPAC name is 4-hydroxy-1-phenyl-N-[3-(trifluoromethoxy)phenyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-hydroxy-1-phenyl-N-[3-(trifluoromethoxy)phenyl]pyrazole-3-carboxamide
PubChem CID112812529
Molecular FormulaC17H12F3N3O3
Molecular Weight363.30 g/mol
Exact Mass363.08
IUPAC Name4-hydroxy-1-phenyl-N-[3-(trifluoromethoxy)phenyl]pyrazole-3-carboxamide
SMILESO=C(Nc1cccc(OC(F)(F)F)c1)c1nn(-c2ccccc2)cc1O
InChIInChI=1S/C17H12F3N3O3/c18-17(19,20)26-13-8-4-5-11(9-13)21-16(25)15-14(24)10-23(22-15)12-6-2-1-3-7-12/h1-10,24H,(H,21,25)
InChIKeyCMBDRESYNABTLP-UHFFFAOYSA-N
XLogP3.73
TPSA76.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.30
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-chloro-4-methoxyphenyl)-4-hydroxy-1-phenylpyrazole-3-carboxamide
CID 112803447
2,2,2-trifluoro-N-[3-(trifluoromethoxy)phenyl]acetamide
CID 62489908
3-(1-phenylpyrazol-4-yl)-N-[3-(trifluoromethoxy)phenyl]propanamide
CID 38033181
5-fluoro-2-hydroxy-N-[3-(trifluoromethoxy)phenyl]benzamide
CID 155535033
2-hydroxy-4-methoxy-N-[3-(trifluoromethoxy)phenyl]benzamide
CID 38204734
2-chloro-N-[3-(trifluoromethoxy)phenyl]benzamide
CID 38257874
4-hydroxy-1-phenyl-N-(6-pyrrolidin-1-yl-3-pyridinyl)pyrazole-3-carboxamide
CID 126777508
N-[3-(trifluoromethoxy)phenyl]quinoline-2-carboxamide
CID 38032613
2,3-dihydroxy-5-methyl-N-[3-(trifluoromethoxy)phenyl]benzamide
CID 59014806
1-(4-fluorophenyl)-3-[(4-hydroxy-1-phenylpyrazole-3-carbonyl)amino]thiourea
CID 8812962
4-hydroxy-N-(4-methoxy-1,3-benzothiazol-2-yl)-1-phenylpyrazole-3-carboxamide
CID 112804982
2,2-dimethyl-N-[3-(trifluoromethoxy)phenyl]propanamide
CID 60725225

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-phenyl-N-[3-(trifluoromethoxy)phenyl]pyrazole-3-carboxamide?
The IUPAC name of 4-hydroxy-1-phenyl-N-[3-(trifluoromethoxy)phenyl]pyrazole-3-carboxamide (CID 112812529) is 4-hydroxy-1-phenyl-N-[3-(trifluoromethoxy)phenyl]pyrazole-3-carboxamide.
What is the SMILES notation for 4-hydroxy-1-phenyl-N-[3-(trifluoromethoxy)phenyl]pyrazole-3-carboxamide?
The canonical SMILES for 4-hydroxy-1-phenyl-N-[3-(trifluoromethoxy)phenyl]pyrazole-3-carboxamide is O=C(Nc1cccc(OC(F)(F)F)c1)c1nn(-c2ccccc2)cc1O.
What is the InChIKey of 4-hydroxy-1-phenyl-N-[3-(trifluoromethoxy)phenyl]pyrazole-3-carboxamide?
The InChIKey is CMBDRESYNABTLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F3N3O3/c18-17(19,20)26-13-8-4-5-11(9-13)21-16(25)15-14(24)10-23(22-15)12-6-2-1-3-7-12/h1-10,24H,(H,21,25).
What are the key properties of 4-hydroxy-1-phenyl-N-[3-(trifluoromethoxy)phenyl]pyrazole-3-carboxamide?
4-hydroxy-1-phenyl-N-[3-(trifluoromethoxy)phenyl]pyrazole-3-carboxamide has a molecular weight of 363.30 g/mol, XLogP of 3.73, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-phenyl-N-[3-(trifluoromethoxy)phenyl]pyrazole-3-carboxamide is sourced from PubChem (CID 112812529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).