1-methyl-3-(1-methylpyrrol-2-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-5-carboxamide

C18H17F3N4O — CID 42759501

IUPAC1-methyl-3-(1-methylpyrrol-2-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-5-carboxamide
SMILESCn1cccc1-c1cc(C(=O)NCc2cccc(C(F)(F)F)c2)n(C)n1
InChIInChI=1S/C18H17F3N4O/c1-24-8-4-7-15(24)14-10-16(25(2)23-14)17(26)22-11-12-5-3-6-13(9-12)18(19,20)21/h3-10H,11H2,1-2H3,(H,22,26)
InChIKeyWMKGITUZTSONOX-UHFFFAOYSA-N
MW362.36 g/mol
LogP3.37
Rot. Bonds4

About 1-methyl-3-(1-methylpyrrol-2-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-5-carboxamide

1-methyl-3-(1-methylpyrrol-2-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-5-carboxamide (PubChem CID 42759501) has the molecular formula C18H17F3N4O and a molecular weight of 362.36 g/mol. Its IUPAC name is 1-methyl-3-(1-methylpyrrol-2-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-5-carboxamide.

Molecular Properties

Compound Name1-methyl-3-(1-methylpyrrol-2-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-5-carboxamide
PubChem CID42759501
Molecular FormulaC18H17F3N4O
Molecular Weight362.36 g/mol
Exact Mass362.14
IUPAC Name1-methyl-3-(1-methylpyrrol-2-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-5-carboxamide
SMILESCn1cccc1-c1cc(C(=O)NCc2cccc(C(F)(F)F)c2)n(C)n1
InChIInChI=1S/C18H17F3N4O/c1-24-8-4-7-15(24)14-10-16(25(2)23-14)17(26)22-11-12-5-3-6-13(9-12)18(19,20)21/h3-10H,11H2,1-2H3,(H,22,26)
InChIKeyWMKGITUZTSONOX-UHFFFAOYSA-N
XLogP3.37
TPSA51.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.36
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-methyl-3-(1-methylpyrrol-2-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-5-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-[(4-fluorophenyl)methyl]-1-methyl-3-(1-methylpyrrol-2-yl)pyrazole-5-carboxamide
CID 42759503
1-(4-bromophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyrrole-2-carboxamide
CID 2768171
4-amino-1-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrrole-2-carboxamide
CID 43642800
1,5-dimethyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-3-carboxamide
CID 35763919
3-(4-methoxyphenyl)-1-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-5-carboxamide
CID 42660586
5-amino-1-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide
CID 115330327
5-(2-methoxyphenyl)-2-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 42877589
1-(3-chlorophenyl)-N-[(4-fluorophenyl)methyl]-3-(1-methylpyrrol-2-yl)pyrazole-5-carboxamide
CID 3620138
2,4,5-trimethyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
CID 100712114
1-methyl-5-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]pyrazole-4-carboxylic acid
CID 29095638
3-(4-fluorophenyl)-1-(4-methoxyphenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-5-carboxamide
CID 4027590
2-[3-(trifluoromethyl)phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
CID 26241577

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(1-methylpyrrol-2-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-5-carboxamide?
The IUPAC name of 1-methyl-3-(1-methylpyrrol-2-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-5-carboxamide (CID 42759501) is 1-methyl-3-(1-methylpyrrol-2-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-5-carboxamide.
What is the SMILES notation for 1-methyl-3-(1-methylpyrrol-2-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-5-carboxamide?
The canonical SMILES for 1-methyl-3-(1-methylpyrrol-2-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-5-carboxamide is Cn1cccc1-c1cc(C(=O)NCc2cccc(C(F)(F)F)c2)n(C)n1.
What is the InChIKey of 1-methyl-3-(1-methylpyrrol-2-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-5-carboxamide?
The InChIKey is WMKGITUZTSONOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N4O/c1-24-8-4-7-15(24)14-10-16(25(2)23-14)17(26)22-11-12-5-3-6-13(9-12)18(19,20)21/h3-10H,11H2,1-2H3,(H,22,26).
What are the key properties of 1-methyl-3-(1-methylpyrrol-2-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-5-carboxamide?
1-methyl-3-(1-methylpyrrol-2-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-5-carboxamide has a molecular weight of 362.36 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(1-methylpyrrol-2-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-5-carboxamide is sourced from PubChem (CID 42759501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).