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

C16H13ClF3N5O — CID 51346910

IUPAC1-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-N-(1-methylpyrazol-3-yl)imidazole-4-carboxamide
SMILESCn1ccc(NC(=O)c2cn(Cc3ccc(Cl)c(C(F)(F)F)c3)cn2)n1
InChIInChI=1S/C16H13ClF3N5O/c1-24-5-4-14(23-24)22-15(26)13-8-25(9-21-13)7-10-2-3-12(17)11(6-10)16(18,19)20/h2-6,8-9H,7H2,1H3,(H,22,23,26)
InChIKeyHAZKXILNWGLHKQ-UHFFFAOYSA-N
MW383.76 g/mol
LogP3.59
Rot. Bonds4

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

1-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-N-(1-methylpyrazol-3-yl)imidazole-4-carboxamide (PubChem CID 51346910) has the molecular formula C16H13ClF3N5O and a molecular weight of 383.76 g/mol. Its IUPAC name is 1-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-N-(1-methylpyrazol-3-yl)imidazole-4-carboxamide.

Molecular Properties

Compound Name1-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-N-(1-methylpyrazol-3-yl)imidazole-4-carboxamide
PubChem CID51346910
Molecular FormulaC16H13ClF3N5O
Molecular Weight383.76 g/mol
Exact Mass383.08
IUPAC Name1-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-N-(1-methylpyrazol-3-yl)imidazole-4-carboxamide
SMILESCn1ccc(NC(=O)c2cn(Cc3ccc(Cl)c(C(F)(F)F)c3)cn2)n1
InChIInChI=1S/C16H13ClF3N5O/c1-24-5-4-14(23-24)22-15(26)13-8-25(9-21-13)7-10-2-3-12(17)11(6-10)16(18,19)20/h2-6,8-9H,7H2,1H3,(H,22,23,26)
InChIKeyHAZKXILNWGLHKQ-UHFFFAOYSA-N
XLogP3.59
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.76
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-N-(1-methylpyrazol-3-yl)imidazole-4-carboxamide?
The IUPAC name of 1-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-N-(1-methylpyrazol-3-yl)imidazole-4-carboxamide (CID 51346910) is 1-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-N-(1-methylpyrazol-3-yl)imidazole-4-carboxamide.
What is the SMILES notation for 1-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-N-(1-methylpyrazol-3-yl)imidazole-4-carboxamide?
The canonical SMILES for 1-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-N-(1-methylpyrazol-3-yl)imidazole-4-carboxamide is Cn1ccc(NC(=O)c2cn(Cc3ccc(Cl)c(C(F)(F)F)c3)cn2)n1.
What is the InChIKey of 1-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-N-(1-methylpyrazol-3-yl)imidazole-4-carboxamide?
The InChIKey is HAZKXILNWGLHKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClF3N5O/c1-24-5-4-14(23-24)22-15(26)13-8-25(9-21-13)7-10-2-3-12(17)11(6-10)16(18,19)20/h2-6,8-9H,7H2,1H3,(H,22,23,26).
What are the key properties of 1-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-N-(1-methylpyrazol-3-yl)imidazole-4-carboxamide?
1-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-N-(1-methylpyrazol-3-yl)imidazole-4-carboxamide has a molecular weight of 383.76 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-N-(1-methylpyrazol-3-yl)imidazole-4-carboxamide is sourced from PubChem (CID 51346910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).