1-methyl-N-[1-methyl-3-[3-(trifluoromethyl)phenyl]pyrazol-5-yl]imidazole-4-carboxamide

C16H14F3N5O — CID 122147471

IUPAC1-methyl-N-[1-methyl-3-[3-(trifluoromethyl)phenyl]pyrazol-5-yl]imidazole-4-carboxamide
SMILESCn1cnc(C(=O)Nc2cc(-c3cccc(C(F)(F)F)c3)nn2C)c1
InChIInChI=1S/C16H14F3N5O/c1-23-8-13(20-9-23)15(25)21-14-7-12(22-24(14)2)10-4-3-5-11(6-10)16(17,18)19/h3-9H,1-2H3,(H,21,25)
InChIKeyVSOSGAUOIOCVHW-UHFFFAOYSA-N
MW349.32 g/mol
LogP3.09
Rot. Bonds3

About 1-methyl-N-[1-methyl-3-[3-(trifluoromethyl)phenyl]pyrazol-5-yl]imidazole-4-carboxamide

1-methyl-N-[1-methyl-3-[3-(trifluoromethyl)phenyl]pyrazol-5-yl]imidazole-4-carboxamide (PubChem CID 122147471) has the molecular formula C16H14F3N5O and a molecular weight of 349.32 g/mol. Its IUPAC name is 1-methyl-N-[1-methyl-3-[3-(trifluoromethyl)phenyl]pyrazol-5-yl]imidazole-4-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[1-methyl-3-[3-(trifluoromethyl)phenyl]pyrazol-5-yl]imidazole-4-carboxamide
PubChem CID122147471
Molecular FormulaC16H14F3N5O
Molecular Weight349.32 g/mol
Exact Mass349.12
IUPAC Name1-methyl-N-[1-methyl-3-[3-(trifluoromethyl)phenyl]pyrazol-5-yl]imidazole-4-carboxamide
SMILESCn1cnc(C(=O)Nc2cc(-c3cccc(C(F)(F)F)c3)nn2C)c1
InChIInChI=1S/C16H14F3N5O/c1-23-8-13(20-9-23)15(25)21-14-7-12(22-24(14)2)10-4-3-5-11(6-10)16(17,18)19/h3-9H,1-2H3,(H,21,25)
InChIKeyVSOSGAUOIOCVHW-UHFFFAOYSA-N
XLogP3.09
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.32
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[1-methyl-3-[3-(trifluoromethyl)phenyl]pyrazol-5-yl]imidazole-4-carboxamide?
The IUPAC name of 1-methyl-N-[1-methyl-3-[3-(trifluoromethyl)phenyl]pyrazol-5-yl]imidazole-4-carboxamide (CID 122147471) is 1-methyl-N-[1-methyl-3-[3-(trifluoromethyl)phenyl]pyrazol-5-yl]imidazole-4-carboxamide.
What is the SMILES notation for 1-methyl-N-[1-methyl-3-[3-(trifluoromethyl)phenyl]pyrazol-5-yl]imidazole-4-carboxamide?
The canonical SMILES for 1-methyl-N-[1-methyl-3-[3-(trifluoromethyl)phenyl]pyrazol-5-yl]imidazole-4-carboxamide is Cn1cnc(C(=O)Nc2cc(-c3cccc(C(F)(F)F)c3)nn2C)c1.
What is the InChIKey of 1-methyl-N-[1-methyl-3-[3-(trifluoromethyl)phenyl]pyrazol-5-yl]imidazole-4-carboxamide?
The InChIKey is VSOSGAUOIOCVHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3N5O/c1-23-8-13(20-9-23)15(25)21-14-7-12(22-24(14)2)10-4-3-5-11(6-10)16(17,18)19/h3-9H,1-2H3,(H,21,25).
What are the key properties of 1-methyl-N-[1-methyl-3-[3-(trifluoromethyl)phenyl]pyrazol-5-yl]imidazole-4-carboxamide?
1-methyl-N-[1-methyl-3-[3-(trifluoromethyl)phenyl]pyrazol-5-yl]imidazole-4-carboxamide has a molecular weight of 349.32 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[1-methyl-3-[3-(trifluoromethyl)phenyl]pyrazol-5-yl]imidazole-4-carboxamide is sourced from PubChem (CID 122147471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).