N-(2-fluoro-5-methylphenyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide

C12H9F4N3O — CID 19508169

IUPACN-(2-fluoro-5-methylphenyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
SMILESCc1ccc(F)c(NC(=O)c2cc(C(F)(F)F)[nH]n2)c1
InChIInChI=1S/C12H9F4N3O/c1-6-2-3-7(13)8(4-6)17-11(20)9-5-10(19-18-9)12(14,15)16/h2-5H,1H3,(H,17,20)(H,18,19)
InChIKeyXLVQNPFVJBRVCN-UHFFFAOYSA-N
MW287.22 g/mol
LogP3.13
Rot. Bonds2

About N-(2-fluoro-5-methylphenyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide

N-(2-fluoro-5-methylphenyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide (PubChem CID 19508169) has the molecular formula C12H9F4N3O and a molecular weight of 287.22 g/mol. Its IUPAC name is N-(2-fluoro-5-methylphenyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-fluoro-5-methylphenyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
PubChem CID19508169
Molecular FormulaC12H9F4N3O
Molecular Weight287.22 g/mol
Exact Mass287.07
IUPAC NameN-(2-fluoro-5-methylphenyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
SMILESCc1ccc(F)c(NC(=O)c2cc(C(F)(F)F)[nH]n2)c1
InChIInChI=1S/C12H9F4N3O/c1-6-2-3-7(13)8(4-6)17-11(20)9-5-10(19-18-9)12(14,15)16/h2-5H,1H3,(H,17,20)(H,18,19)
InChIKeyXLVQNPFVJBRVCN-UHFFFAOYSA-N
XLogP3.13
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.22
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,4-difluorophenyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
CID 35528007
N-(3-chloro-2-methylphenyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
CID 19508080
N-(2-chloro-4-fluorophenyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
CID 16659761
5-(trifluoromethyl)-N-[2-(trifluoromethyl)phenyl]-1H-pyrazole-3-carboxamide
CID 19508083
4-chloro-N-(2-fluoro-5-methylphenyl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 19267924
3-amino-N-(2-fluoro-5-methylphenyl)-1H-pyrazole-5-carboxamide
CID 64524613
N-(2-fluoro-5-methylphenyl)-6-(methylamino)pyridazine-3-carboxamide
CID 62165617
6-fluoro-N-(2-fluoro-5-methylphenyl)pyridine-2-carboxamide
CID 115496741
N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
CID 19284590
N-(2-fluoro-5-methylphenyl)-4-methylbenzamide
CID 7718843
N-(2-fluoro-5-methylphenyl)-6-oxo-1H-pyridine-3-carboxamide
CID 28825950
N-(5-fluoro-2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
CID 175895372

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-5-methylphenyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide?
The IUPAC name of N-(2-fluoro-5-methylphenyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide (CID 19508169) is N-(2-fluoro-5-methylphenyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-(2-fluoro-5-methylphenyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-(2-fluoro-5-methylphenyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide is Cc1ccc(F)c(NC(=O)c2cc(C(F)(F)F)[nH]n2)c1.
What is the InChIKey of N-(2-fluoro-5-methylphenyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide?
The InChIKey is XLVQNPFVJBRVCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F4N3O/c1-6-2-3-7(13)8(4-6)17-11(20)9-5-10(19-18-9)12(14,15)16/h2-5H,1H3,(H,17,20)(H,18,19).
What are the key properties of N-(2-fluoro-5-methylphenyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide?
N-(2-fluoro-5-methylphenyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide has a molecular weight of 287.22 g/mol, XLogP of 3.13, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-5-methylphenyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 19508169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).