N-(1-methylpyrazol-3-yl)-1-[[3-(trifluoromethyl)phenyl]methyl]imidazole-4-carboxamide

C16H14F3N5O — CID 51346909

IUPACN-(1-methylpyrazol-3-yl)-1-[[3-(trifluoromethyl)phenyl]methyl]imidazole-4-carboxamide
SMILESCn1ccc(NC(=O)c2cn(Cc3cccc(C(F)(F)F)c3)cn2)n1
InChIInChI=1S/C16H14F3N5O/c1-23-6-5-14(22-23)21-15(25)13-9-24(10-20-13)8-11-3-2-4-12(7-11)16(17,18)19/h2-7,9-10H,8H2,1H3,(H,21,22,25)
InChIKeyFZLHAQOWUUFKCS-UHFFFAOYSA-N
MW349.32 g/mol
LogP2.94
Rot. Bonds4

About N-(1-methylpyrazol-3-yl)-1-[[3-(trifluoromethyl)phenyl]methyl]imidazole-4-carboxamide

N-(1-methylpyrazol-3-yl)-1-[[3-(trifluoromethyl)phenyl]methyl]imidazole-4-carboxamide (PubChem CID 51346909) has the molecular formula C16H14F3N5O and a molecular weight of 349.32 g/mol. Its IUPAC name is N-(1-methylpyrazol-3-yl)-1-[[3-(trifluoromethyl)phenyl]methyl]imidazole-4-carboxamide.

Molecular Properties

Compound NameN-(1-methylpyrazol-3-yl)-1-[[3-(trifluoromethyl)phenyl]methyl]imidazole-4-carboxamide
PubChem CID51346909
Molecular FormulaC16H14F3N5O
Molecular Weight349.32 g/mol
Exact Mass349.12
IUPAC NameN-(1-methylpyrazol-3-yl)-1-[[3-(trifluoromethyl)phenyl]methyl]imidazole-4-carboxamide
SMILESCn1ccc(NC(=O)c2cn(Cc3cccc(C(F)(F)F)c3)cn2)n1
InChIInChI=1S/C16H14F3N5O/c1-23-6-5-14(22-23)21-15(25)13-9-24(10-20-13)8-11-3-2-4-12(7-11)16(17,18)19/h2-7,9-10H,8H2,1H3,(H,21,22,25)
InChIKeyFZLHAQOWUUFKCS-UHFFFAOYSA-N
XLogP2.94
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.32
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Cvt-6883
CID 11270783
1-ethyl-8-(1-(3-(trifluoromethyl)benzyl)-1H-pyrazol-4-yl)-1H-purine-2,6(3H,7H)-dione
CID 11774068
4-N-cyclopentyl-4-N,1-dimethyl-5-N-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]pyrazole-4,5-dicarboxamide
CID 71288554
4-N-cyclobutyl-4-N,1-dimethyl-5-N-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]pyrazole-4,5-dicarboxamide
CID 71288555
4-(azetidine-1-carbonyl)-1-methyl-N-[2-(1-methyl-4-phenyl-1H-imidazol-2-yl)ethyl]-1H-pyrazole-5-carboxamide
CID 71288645
Tyk2-IN-2
CID 129626433
8-(1-(3-(trifluoromethyl)benzyl)-1H-pyrazol-4-yl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione
CID 9822488
1-(4-((1H-pyrazol-1-yl)methyl)benzyl)-N-((6-amino-2,4-dimethylpyridin-3-yl)methyl)-1H-imidazole-4-carboxamide
CID 56836188
6-[3-(2,2-Difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide
CID 122510927
Imidazo[1,2-a]pyrazin-8(5H)-one, 7-[(3,4-difluorophenyl)methyl]-6,7-dihydro-2-[5-methyl-2-[(1-methyl-1H-pyrazol-5-yl)amino]-4-pyrimidinyl]-
CID 129116809
(R)-1-(tert-butyl)-N-(8-(2-((1-methyl-1H-pyrazol-4-yl)amino)pyrimidin-4-yl)-2-(2,2,2-trifluoroethyl)-2,3,4,5-tetrahydro-1H-benzo[c]azepin-5-yl)-1H-1,2,3-triazole-4-carboxamide
CID 135356368
7-(difluoromethyl)-3-[(2-ethyl-1H-imidazol-1-yl)carbonyl]-5-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine
CID 1289753

Frequently Asked Questions

What is the IUPAC name of N-(1-methylpyrazol-3-yl)-1-[[3-(trifluoromethyl)phenyl]methyl]imidazole-4-carboxamide?
The IUPAC name of N-(1-methylpyrazol-3-yl)-1-[[3-(trifluoromethyl)phenyl]methyl]imidazole-4-carboxamide (CID 51346909) is N-(1-methylpyrazol-3-yl)-1-[[3-(trifluoromethyl)phenyl]methyl]imidazole-4-carboxamide.
What is the SMILES notation for N-(1-methylpyrazol-3-yl)-1-[[3-(trifluoromethyl)phenyl]methyl]imidazole-4-carboxamide?
The canonical SMILES for N-(1-methylpyrazol-3-yl)-1-[[3-(trifluoromethyl)phenyl]methyl]imidazole-4-carboxamide is Cn1ccc(NC(=O)c2cn(Cc3cccc(C(F)(F)F)c3)cn2)n1.
What is the InChIKey of N-(1-methylpyrazol-3-yl)-1-[[3-(trifluoromethyl)phenyl]methyl]imidazole-4-carboxamide?
The InChIKey is FZLHAQOWUUFKCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3N5O/c1-23-6-5-14(22-23)21-15(25)13-9-24(10-20-13)8-11-3-2-4-12(7-11)16(17,18)19/h2-7,9-10H,8H2,1H3,(H,21,22,25).
What are the key properties of N-(1-methylpyrazol-3-yl)-1-[[3-(trifluoromethyl)phenyl]methyl]imidazole-4-carboxamide?
N-(1-methylpyrazol-3-yl)-1-[[3-(trifluoromethyl)phenyl]methyl]imidazole-4-carboxamide has a molecular weight of 349.32 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylpyrazol-3-yl)-1-[[3-(trifluoromethyl)phenyl]methyl]imidazole-4-carboxamide is sourced from PubChem (CID 51346909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).