3-(2-hydroxy-3-methylphenyl)-N-[3-(trifluoromethyl)phenyl]-1H-pyrazole-5-carboxamide

C18H14F3N3O2 — CID 135577786

IUPAC3-(2-hydroxy-3-methylphenyl)-N-[3-(trifluoromethyl)phenyl]-1H-pyrazole-5-carboxamide
SMILESCc1cccc(-c2cc(C(=O)Nc3cccc(C(F)(F)F)c3)[nH]n2)c1O
InChIInChI=1S/C18H14F3N3O2/c1-10-4-2-7-13(16(10)25)14-9-15(24-23-14)17(26)22-12-6-3-5-11(8-12)18(19,20)21/h2-9,25H,1H3,(H,22,26)(H,23,24)
InChIKeyFHIVLXUEHRFBTJ-UHFFFAOYSA-N
MW361.32 g/mol
LogP4.36
Rot. Bonds3

About 3-(2-hydroxy-3-methylphenyl)-N-[3-(trifluoromethyl)phenyl]-1H-pyrazole-5-carboxamide

3-(2-hydroxy-3-methylphenyl)-N-[3-(trifluoromethyl)phenyl]-1H-pyrazole-5-carboxamide (PubChem CID 135577786) has the molecular formula C18H14F3N3O2 and a molecular weight of 361.32 g/mol. Its IUPAC name is 3-(2-hydroxy-3-methylphenyl)-N-[3-(trifluoromethyl)phenyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(2-hydroxy-3-methylphenyl)-N-[3-(trifluoromethyl)phenyl]-1H-pyrazole-5-carboxamide
PubChem CID135577786
Molecular FormulaC18H14F3N3O2
Molecular Weight361.32 g/mol
Exact Mass361.10
IUPAC Name3-(2-hydroxy-3-methylphenyl)-N-[3-(trifluoromethyl)phenyl]-1H-pyrazole-5-carboxamide
SMILESCc1cccc(-c2cc(C(=O)Nc3cccc(C(F)(F)F)c3)[nH]n2)c1O
InChIInChI=1S/C18H14F3N3O2/c1-10-4-2-7-13(16(10)25)14-9-15(24-23-14)17(26)22-12-6-3-5-11(8-12)18(19,20)21/h2-9,25H,1H3,(H,22,26)(H,23,24)
InChIKeyFHIVLXUEHRFBTJ-UHFFFAOYSA-N
XLogP4.36
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.32
LogP ≤ 54.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(acetylamino)phenyl]-5-(2-hydroxy-4-methylphenyl)-1H-pyrazole-3-carboxamide
CID 2039042
5-(2-hydroxyphenyl)-N-(4-sulfamoylphenyl)-1H-pyrazole-3-carboxamide
CID 1838078
N-[4-(acetylamino)phenyl]-5-(2-hydroxy-4,5-dimethylphenyl)-1H-pyrazole-3-carboxamide
CID 1836662
(5E)-5-(4,5-dimethyl-6-oxocyclohexa-2,4-dien-1-ylidene)-N-(3,4-dimethylphenyl)-1,2-dihydropyrazole-3-carboxamide
CID 1838188
5-(2-hydroxy-4,5-dimethylphenyl)-N-(3-methylphenyl)-1H-pyrazole-3-carboxamide
CID 1848114
N-(3,4-dimethylphenyl)-5-(2-hydroxyphenyl)-1H-pyrazole-3-carboxamide
CID 1855608
5-(5-chloro-2-hydroxyphenyl)-N-(3-methylphenyl)-1H-pyrazole-3-carboxamide
CID 1858336
(5E)-N-(2,5-dimethylphenyl)-5-(3-methyl-6-oxocyclohexa-2,4-dien-1-ylidene)-1,2-dihydropyrazole-3-carboxamide
CID 1872658
5-(2-hydroxy-5-methylphenyl)-N-(3-methylphenyl)-1H-pyrazole-3-carboxamide
CID 1939904
5-(2-hydroxy-3,4-dimethylphenyl)-N-(3-methylphenyl)-1H-pyrazole-3-carboxamide
CID 1946538
3-(2-hydroxy-4,6-dimethylphenyl)-N-(3-methylphenyl)-1H-pyrazole-5-carboxamide
CID 1956599
N-(2,5-dimethylphenyl)-3-(2-hydroxy-4,5-dimethylphenyl)-1H-pyrazole-5-carboxamide
CID 1964081

Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxy-3-methylphenyl)-N-[3-(trifluoromethyl)phenyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-(2-hydroxy-3-methylphenyl)-N-[3-(trifluoromethyl)phenyl]-1H-pyrazole-5-carboxamide (CID 135577786) is 3-(2-hydroxy-3-methylphenyl)-N-[3-(trifluoromethyl)phenyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-(2-hydroxy-3-methylphenyl)-N-[3-(trifluoromethyl)phenyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-(2-hydroxy-3-methylphenyl)-N-[3-(trifluoromethyl)phenyl]-1H-pyrazole-5-carboxamide is Cc1cccc(-c2cc(C(=O)Nc3cccc(C(F)(F)F)c3)[nH]n2)c1O.
What is the InChIKey of 3-(2-hydroxy-3-methylphenyl)-N-[3-(trifluoromethyl)phenyl]-1H-pyrazole-5-carboxamide?
The InChIKey is FHIVLXUEHRFBTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F3N3O2/c1-10-4-2-7-13(16(10)25)14-9-15(24-23-14)17(26)22-12-6-3-5-11(8-12)18(19,20)21/h2-9,25H,1H3,(H,22,26)(H,23,24).
What are the key properties of 3-(2-hydroxy-3-methylphenyl)-N-[3-(trifluoromethyl)phenyl]-1H-pyrazole-5-carboxamide?
3-(2-hydroxy-3-methylphenyl)-N-[3-(trifluoromethyl)phenyl]-1H-pyrazole-5-carboxamide has a molecular weight of 361.32 g/mol, XLogP of 4.36, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxy-3-methylphenyl)-N-[3-(trifluoromethyl)phenyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 135577786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).