N-[1-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]-3-methylpyridine-4-carboxamide

C19H17F3N4O2 — CID 59547925

IUPACN-[1-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]-3-methylpyridine-4-carboxamide
SMILESCOc1ccc(Cn2ccc(NC(=O)c3ccncc3C)n2)c(C(F)(F)F)c1
InChIInChI=1S/C19H17F3N4O2/c1-12-10-23-7-5-15(12)18(27)24-17-6-8-26(25-17)11-13-3-4-14(28-2)9-16(13)19(20,21)22/h3-10H,11H2,1-2H3,(H,24,25,27)
InChIKeyVCBVMMFEFYVIJX-UHFFFAOYSA-N
MW390.37 g/mol
LogP3.91
Rot. Bonds5

About N-[1-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]-3-methylpyridine-4-carboxamide

N-[1-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]-3-methylpyridine-4-carboxamide (PubChem CID 59547925) has the molecular formula C19H17F3N4O2 and a molecular weight of 390.37 g/mol. Its IUPAC name is N-[1-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]-3-methylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-[1-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]-3-methylpyridine-4-carboxamide
PubChem CID59547925
Molecular FormulaC19H17F3N4O2
Molecular Weight390.37 g/mol
Exact Mass390.13
IUPAC NameN-[1-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]-3-methylpyridine-4-carboxamide
SMILESCOc1ccc(Cn2ccc(NC(=O)c3ccncc3C)n2)c(C(F)(F)F)c1
InChIInChI=1S/C19H17F3N4O2/c1-12-10-23-7-5-15(12)18(27)24-17-6-8-26(25-17)11-13-3-4-14(28-2)9-16(13)19(20,21)22/h3-10H,11H2,1-2H3,(H,24,25,27)
InChIKeyVCBVMMFEFYVIJX-UHFFFAOYSA-N
XLogP3.91
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.37
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[1-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]-3-methylpyridine-4-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

N-[1-[[4-cyclopropyl-2-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]-3-methylpyridine-4-carboxamide
CID 59547986
N-[1-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]benzamide
CID 66770627
N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-3-yl]-2,4-dimethoxybenzamide
CID 19403011
CID 66770876
CID 66770876
disodium;[4-[[3-[(2,6-difluorobenzoyl)amino]pyrazol-1-yl]methyl]-3-(trifluoromethyl)phenyl] dihydrogen phosphate;hydride
CID 173016525
1-(3-methoxyphenyl)-3-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]urea
CID 35274063
2,4-dimethoxy-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]benzamide
CID 19400990
1-(2,6-dichlorophenyl)-2-[1-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]ethanone
CID 159320562
N-[1-[[2-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]acetamide
CID 68643513
2,6-difluoro-N-[1-[[4-(3-methoxypropoxy)-2-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]cyclohexa-2,4-diene-1-carboxamide
CID 70222838
N-[1-[[2-chloro-6-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]-2-methylbenzamide
CID 59547949
2,4-dimethyl-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]benzamide
CID 19284921

Frequently Asked Questions

What is the IUPAC name of N-[1-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]-3-methylpyridine-4-carboxamide?
The IUPAC name of N-[1-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]-3-methylpyridine-4-carboxamide (CID 59547925) is N-[1-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]-3-methylpyridine-4-carboxamide.
What is the SMILES notation for N-[1-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]-3-methylpyridine-4-carboxamide?
The canonical SMILES for N-[1-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]-3-methylpyridine-4-carboxamide is COc1ccc(Cn2ccc(NC(=O)c3ccncc3C)n2)c(C(F)(F)F)c1.
What is the InChIKey of N-[1-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]-3-methylpyridine-4-carboxamide?
The InChIKey is VCBVMMFEFYVIJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N4O2/c1-12-10-23-7-5-15(12)18(27)24-17-6-8-26(25-17)11-13-3-4-14(28-2)9-16(13)19(20,21)22/h3-10H,11H2,1-2H3,(H,24,25,27).
What are the key properties of N-[1-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]-3-methylpyridine-4-carboxamide?
N-[1-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]-3-methylpyridine-4-carboxamide has a molecular weight of 390.37 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]-3-methylpyridine-4-carboxamide is sourced from PubChem (CID 59547925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).