1-methyl-5-(trifluoromethyl)-N-(3,4,5-trimethoxyphenyl)pyrazole-3-carboxamide

C15H16F3N3O4 — CID 46270511

IUPAC1-methyl-5-(trifluoromethyl)-N-(3,4,5-trimethoxyphenyl)pyrazole-3-carboxamide
SMILESCOc1cc(NC(=O)c2cc(C(F)(F)F)n(C)n2)cc(OC)c1OC
InChIInChI=1S/C15H16F3N3O4/c1-21-12(15(16,17)18)7-9(20-21)14(22)19-8-5-10(23-2)13(25-4)11(6-8)24-3/h5-7H,1-4H3,(H,19,22)
InChIKeyFBCQNLPQPXONGP-UHFFFAOYSA-N
MW359.30 g/mol
LogP2.72
Rot. Bonds5

About 1-methyl-5-(trifluoromethyl)-N-(3,4,5-trimethoxyphenyl)pyrazole-3-carboxamide

1-methyl-5-(trifluoromethyl)-N-(3,4,5-trimethoxyphenyl)pyrazole-3-carboxamide (PubChem CID 46270511) has the molecular formula C15H16F3N3O4 and a molecular weight of 359.30 g/mol. Its IUPAC name is 1-methyl-5-(trifluoromethyl)-N-(3,4,5-trimethoxyphenyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-methyl-5-(trifluoromethyl)-N-(3,4,5-trimethoxyphenyl)pyrazole-3-carboxamide
PubChem CID46270511
Molecular FormulaC15H16F3N3O4
Molecular Weight359.30 g/mol
Exact Mass359.11
IUPAC Name1-methyl-5-(trifluoromethyl)-N-(3,4,5-trimethoxyphenyl)pyrazole-3-carboxamide
SMILESCOc1cc(NC(=O)c2cc(C(F)(F)F)n(C)n2)cc(OC)c1OC
InChIInChI=1S/C15H16F3N3O4/c1-21-12(15(16,17)18)7-9(20-21)14(22)19-8-5-10(23-2)13(25-4)11(6-8)24-3/h5-7H,1-4H3,(H,19,22)
InChIKeyFBCQNLPQPXONGP-UHFFFAOYSA-N
XLogP2.72
TPSA74.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.30
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-methyl-5-(trifluoromethyl)-N-(3,4,5-trimethoxyphenyl)pyrazole-3-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-(3-methoxyphenyl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 19267596
N-(2-methoxy-5-methylphenyl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 19267595
1-methyl-N-(4-methylphenyl)-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 47001916
5-(4-methylphenyl)-7-(trifluoromethyl)-N-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 1038221
5-(4-methoxyphenyl)-1-methyl-N-(3,4,5-trimethoxyphenyl)pyrazole-3-carboxamide
CID 110336337
N-[3-(4-chlorophenyl)sulfonyl-5-methoxyphenyl]-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 19267765
5-(4-chlorophenyl)-7-(trifluoromethyl)-N-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 1129792
N-(2-chloro-4-fluorophenyl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 50945386
2-bromo-N-(3,4,5-trimethoxyphenyl)-1,3-thiazole-4-carboxamide
CID 117087526
N-(5-carbamoyl-1-methylpyrazol-4-yl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 4768469
N-butan-2-yl-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 19267656
2-phenyl-N-(3,4,5-trimethoxyphenyl)triazole-4-carboxamide
CID 17418781

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-(trifluoromethyl)-N-(3,4,5-trimethoxyphenyl)pyrazole-3-carboxamide?
The IUPAC name of 1-methyl-5-(trifluoromethyl)-N-(3,4,5-trimethoxyphenyl)pyrazole-3-carboxamide (CID 46270511) is 1-methyl-5-(trifluoromethyl)-N-(3,4,5-trimethoxyphenyl)pyrazole-3-carboxamide.
What is the SMILES notation for 1-methyl-5-(trifluoromethyl)-N-(3,4,5-trimethoxyphenyl)pyrazole-3-carboxamide?
The canonical SMILES for 1-methyl-5-(trifluoromethyl)-N-(3,4,5-trimethoxyphenyl)pyrazole-3-carboxamide is COc1cc(NC(=O)c2cc(C(F)(F)F)n(C)n2)cc(OC)c1OC.
What is the InChIKey of 1-methyl-5-(trifluoromethyl)-N-(3,4,5-trimethoxyphenyl)pyrazole-3-carboxamide?
The InChIKey is FBCQNLPQPXONGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N3O4/c1-21-12(15(16,17)18)7-9(20-21)14(22)19-8-5-10(23-2)13(25-4)11(6-8)24-3/h5-7H,1-4H3,(H,19,22).
What are the key properties of 1-methyl-5-(trifluoromethyl)-N-(3,4,5-trimethoxyphenyl)pyrazole-3-carboxamide?
1-methyl-5-(trifluoromethyl)-N-(3,4,5-trimethoxyphenyl)pyrazole-3-carboxamide has a molecular weight of 359.30 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-(trifluoromethyl)-N-(3,4,5-trimethoxyphenyl)pyrazole-3-carboxamide is sourced from PubChem (CID 46270511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).