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

C16H14F3N5O2 — CID 53321551

IUPACN-(1-methylpyrazol-3-yl)-1-[[3-(trifluoromethoxy)phenyl]methyl]imidazole-4-carboxamide
SMILESCn1ccc(NC(=O)c2cn(Cc3cccc(OC(F)(F)F)c3)cn2)n1
InChIInChI=1S/C16H14F3N5O2/c1-23-6-5-14(22-23)21-15(25)13-9-24(10-20-13)8-11-3-2-4-12(7-11)26-16(17,18)19/h2-7,9-10H,8H2,1H3,(H,21,22,25)
InChIKeyRLIOGLONFBOCIA-UHFFFAOYSA-N
MW365.32 g/mol
LogP2.82
Rot. Bonds5

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

N-(1-methylpyrazol-3-yl)-1-[[3-(trifluoromethoxy)phenyl]methyl]imidazole-4-carboxamide (PubChem CID 53321551) has the molecular formula C16H14F3N5O2 and a molecular weight of 365.32 g/mol. Its IUPAC name is N-(1-methylpyrazol-3-yl)-1-[[3-(trifluoromethoxy)phenyl]methyl]imidazole-4-carboxamide.

Molecular Properties

Compound NameN-(1-methylpyrazol-3-yl)-1-[[3-(trifluoromethoxy)phenyl]methyl]imidazole-4-carboxamide
PubChem CID53321551
Molecular FormulaC16H14F3N5O2
Molecular Weight365.32 g/mol
Exact Mass365.11
IUPAC NameN-(1-methylpyrazol-3-yl)-1-[[3-(trifluoromethoxy)phenyl]methyl]imidazole-4-carboxamide
SMILESCn1ccc(NC(=O)c2cn(Cc3cccc(OC(F)(F)F)c3)cn2)n1
InChIInChI=1S/C16H14F3N5O2/c1-23-6-5-14(22-23)21-15(25)13-9-24(10-20-13)8-11-3-2-4-12(7-11)26-16(17,18)19/h2-7,9-10H,8H2,1H3,(H,21,22,25)
InChIKeyRLIOGLONFBOCIA-UHFFFAOYSA-N
XLogP2.82
TPSA73.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.32
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1-methylpyrazol-3-yl)-1-[[3-(trifluoromethoxy)phenyl]methyl]imidazole-4-carboxamide?
The IUPAC name of N-(1-methylpyrazol-3-yl)-1-[[3-(trifluoromethoxy)phenyl]methyl]imidazole-4-carboxamide (CID 53321551) is N-(1-methylpyrazol-3-yl)-1-[[3-(trifluoromethoxy)phenyl]methyl]imidazole-4-carboxamide.
What is the SMILES notation for N-(1-methylpyrazol-3-yl)-1-[[3-(trifluoromethoxy)phenyl]methyl]imidazole-4-carboxamide?
The canonical SMILES for N-(1-methylpyrazol-3-yl)-1-[[3-(trifluoromethoxy)phenyl]methyl]imidazole-4-carboxamide is Cn1ccc(NC(=O)c2cn(Cc3cccc(OC(F)(F)F)c3)cn2)n1.
What is the InChIKey of N-(1-methylpyrazol-3-yl)-1-[[3-(trifluoromethoxy)phenyl]methyl]imidazole-4-carboxamide?
The InChIKey is RLIOGLONFBOCIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3N5O2/c1-23-6-5-14(22-23)21-15(25)13-9-24(10-20-13)8-11-3-2-4-12(7-11)26-16(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-(trifluoromethoxy)phenyl]methyl]imidazole-4-carboxamide?
N-(1-methylpyrazol-3-yl)-1-[[3-(trifluoromethoxy)phenyl]methyl]imidazole-4-carboxamide has a molecular weight of 365.32 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylpyrazol-3-yl)-1-[[3-(trifluoromethoxy)phenyl]methyl]imidazole-4-carboxamide is sourced from PubChem (CID 53321551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).