6-[3-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-1-methylpyrazol-5-yl]-2-methylpyridine-3-carboxamide

C19H16F4N4O — CID 56651045

IUPAC6-[3-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-1-methylpyrazol-5-yl]-2-methylpyridine-3-carboxamide
SMILESCc1nc(-c2cc(Cc3cc(F)cc(C(F)(F)F)c3)nn2C)ccc1C(N)=O
InChIInChI=1S/C19H16F4N4O/c1-10-15(18(24)28)3-4-16(25-10)17-9-14(26-27(17)2)7-11-5-12(19(21,22)23)8-13(20)6-11/h3-6,8-9H,7H2,1-2H3,(H2,24,28)
InChIKeySLXTURJUMJFTBG-UHFFFAOYSA-N
MW392.36 g/mol
LogP3.64
Rot. Bonds4

About 6-[3-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-1-methylpyrazol-5-yl]-2-methylpyridine-3-carboxamide

6-[3-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-1-methylpyrazol-5-yl]-2-methylpyridine-3-carboxamide (PubChem CID 56651045) has the molecular formula C19H16F4N4O and a molecular weight of 392.36 g/mol. Its IUPAC name is 6-[3-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-1-methylpyrazol-5-yl]-2-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-[3-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-1-methylpyrazol-5-yl]-2-methylpyridine-3-carboxamide
PubChem CID56651045
Molecular FormulaC19H16F4N4O
Molecular Weight392.36 g/mol
Exact Mass392.13
IUPAC Name6-[3-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-1-methylpyrazol-5-yl]-2-methylpyridine-3-carboxamide
SMILESCc1nc(-c2cc(Cc3cc(F)cc(C(F)(F)F)c3)nn2C)ccc1C(N)=O
InChIInChI=1S/C19H16F4N4O/c1-10-15(18(24)28)3-4-16(25-10)17-9-14(26-27(17)2)7-11-5-12(19(21,22)23)8-13(20)6-11/h3-6,8-9H,7H2,1-2H3,(H2,24,28)
InChIKeySLXTURJUMJFTBG-UHFFFAOYSA-N
XLogP3.64
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.36
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-[3-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-1-methylpyrazol-5-yl]-2-methylpyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-6-methyl-7H-pyrrolo[3,4-b]pyridin-5-one
CID 57382333
5-(1-methylpyrazol-4-yl)-N-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]-3-pyridinyl]pyridine-3-carboxamide
CID 137646593
3-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]-N'-(3-pyridinylmethylene)benzohydrazide
CID 6874623
4,6-Dimethyl-4'-[3,5-bis(trifluoromethyl)-1H-pyrazol-1-yl]nicotinanilide
CID 9888801
4-[5-[[3-Fluoro-5-(trifluoromethyl)phenyl]methyl]-2-methylpyrazol-3-yl]-2-methylbenzamide
CID 56651044
5-(3-(1-methyl-1H-pyrazol-3-yl)-4-(trifluoromethyl)benzamido)-6-phenylnicotinamide
CID 118392439
sEH-IN-12
CID 118902251
[2-(5-fluoro-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(3-methylphenyl)methanone
CID 140268009
N-[6-(2-amino-2-oxoethyl)-2-phenylpyridin-3-yl]-2-fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide
CID 118393146
6-[5-[[2-Fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzoyl]amino]-6-phenylpyridin-3-yl]pyridine-3-carboxamide
CID 118411511
GPR52 receptor modulator 1
CID 156735500
1-phenyl-3-(pyridin-3-yl)-1H-pyrazole-4-carboxamide
CID 883433

Frequently Asked Questions

What is the IUPAC name of 6-[3-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-1-methylpyrazol-5-yl]-2-methylpyridine-3-carboxamide?
The IUPAC name of 6-[3-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-1-methylpyrazol-5-yl]-2-methylpyridine-3-carboxamide (CID 56651045) is 6-[3-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-1-methylpyrazol-5-yl]-2-methylpyridine-3-carboxamide.
What is the SMILES notation for 6-[3-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-1-methylpyrazol-5-yl]-2-methylpyridine-3-carboxamide?
The canonical SMILES for 6-[3-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-1-methylpyrazol-5-yl]-2-methylpyridine-3-carboxamide is Cc1nc(-c2cc(Cc3cc(F)cc(C(F)(F)F)c3)nn2C)ccc1C(N)=O.
What is the InChIKey of 6-[3-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-1-methylpyrazol-5-yl]-2-methylpyridine-3-carboxamide?
The InChIKey is SLXTURJUMJFTBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F4N4O/c1-10-15(18(24)28)3-4-16(25-10)17-9-14(26-27(17)2)7-11-5-12(19(21,22)23)8-13(20)6-11/h3-6,8-9H,7H2,1-2H3,(H2,24,28).
What are the key properties of 6-[3-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-1-methylpyrazol-5-yl]-2-methylpyridine-3-carboxamide?
6-[3-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-1-methylpyrazol-5-yl]-2-methylpyridine-3-carboxamide has a molecular weight of 392.36 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-1-methylpyrazol-5-yl]-2-methylpyridine-3-carboxamide is sourced from PubChem (CID 56651045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).