3-amino-5-methyl-N-[3-(trifluoromethyl)phenyl]-1H-pyrazole-4-carboxamide

C12H11F3N4O — CID 1486828

IUPAC3-amino-5-methyl-N-[3-(trifluoromethyl)phenyl]-1H-pyrazole-4-carboxamide
SMILESCc1[nH]nc(N)c1C(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C12H11F3N4O/c1-6-9(10(16)19-18-6)11(20)17-8-4-2-3-7(5-8)12(13,14)15/h2-5H,1H3,(H,17,20)(H3,16,18,19)
InChIKeyZERFMNZBCUCHBV-UHFFFAOYSA-N
MW284.24 g/mol
LogP2.57
Rot. Bonds2

About 3-amino-5-methyl-N-[3-(trifluoromethyl)phenyl]-1H-pyrazole-4-carboxamide

3-amino-5-methyl-N-[3-(trifluoromethyl)phenyl]-1H-pyrazole-4-carboxamide (PubChem CID 1486828) has the molecular formula C12H11F3N4O and a molecular weight of 284.24 g/mol. Its IUPAC name is 3-amino-5-methyl-N-[3-(trifluoromethyl)phenyl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name3-amino-5-methyl-N-[3-(trifluoromethyl)phenyl]-1H-pyrazole-4-carboxamide
PubChem CID1486828
Molecular FormulaC12H11F3N4O
Molecular Weight284.24 g/mol
Exact Mass284.09
IUPAC Name3-amino-5-methyl-N-[3-(trifluoromethyl)phenyl]-1H-pyrazole-4-carboxamide
SMILESCc1[nH]nc(N)c1C(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C12H11F3N4O/c1-6-9(10(16)19-18-6)11(20)17-8-4-2-3-7(5-8)12(13,14)15/h2-5H,1H3,(H,17,20)(H3,16,18,19)
InChIKeyZERFMNZBCUCHBV-UHFFFAOYSA-N
XLogP2.57
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.24
LogP ≤ 52.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3-amino-5-methyl-N-[3-(trifluoromethyl)phenyl]-1H-pyrazole-4-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

2,3,5,6-tetrafluoro-4-methyl-N-[3-(trifluoromethyl)phenyl]benzamide
CID 170317070
5-amino-3-(benzylamino)-N-[3-(trifluoromethyl)phenyl]-1H-pyrazole-4-carboxamide
CID 46948878
5-acetyl-2-amino-4-methyl-N-[3-(trifluoromethyl)phenyl]thiophene-3-carboxamide
CID 4764229
3-tert-butyl-5-methyl-N-[3-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide
CID 110423356
4-hydroxy-6-methyl-2-oxo-N-[3-(trifluoromethyl)phenyl]-1H-pyridine-3-carboxamide
CID 54713541
N-(3-fluorophenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 43582601
6-amino-N-[3-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 62238899
3-amino-N-(1-benzothiophen-5-yl)-5-methyl-1H-pyrazole-4-carboxamide
CID 65452569
3-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]benzoic acid
CID 43583203
4-amino-N-[3-(trifluoromethyl)phenyl]-1,2-thiazole-3-carboxamide;hydrochloride
CID 90485584
2-hydroxy-2-methyl-N-[3-(trifluoromethyl)phenyl]propanamide
CID 71371552
5-(trifluoromethyl)-N-[3-(trifluoromethyl)phenyl]-1H-pyrazole-4-carboxamide
CID 47801183

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-methyl-N-[3-(trifluoromethyl)phenyl]-1H-pyrazole-4-carboxamide?
The IUPAC name of 3-amino-5-methyl-N-[3-(trifluoromethyl)phenyl]-1H-pyrazole-4-carboxamide (CID 1486828) is 3-amino-5-methyl-N-[3-(trifluoromethyl)phenyl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 3-amino-5-methyl-N-[3-(trifluoromethyl)phenyl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for 3-amino-5-methyl-N-[3-(trifluoromethyl)phenyl]-1H-pyrazole-4-carboxamide is Cc1[nH]nc(N)c1C(=O)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of 3-amino-5-methyl-N-[3-(trifluoromethyl)phenyl]-1H-pyrazole-4-carboxamide?
The InChIKey is ZERFMNZBCUCHBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N4O/c1-6-9(10(16)19-18-6)11(20)17-8-4-2-3-7(5-8)12(13,14)15/h2-5H,1H3,(H,17,20)(H3,16,18,19).
What are the key properties of 3-amino-5-methyl-N-[3-(trifluoromethyl)phenyl]-1H-pyrazole-4-carboxamide?
3-amino-5-methyl-N-[3-(trifluoromethyl)phenyl]-1H-pyrazole-4-carboxamide has a molecular weight of 284.24 g/mol, XLogP of 2.57, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-methyl-N-[3-(trifluoromethyl)phenyl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 1486828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).