5-methyl-1-(3,3,3-trifluoropropyl)pyrazole-4-carboxamide

C8H10F3N3O — CID 175848661

IUPAC5-methyl-1-(3,3,3-trifluoropropyl)pyrazole-4-carboxamide
SMILESCc1c(C(N)=O)cnn1CCC(F)(F)F
InChIInChI=1S/C8H10F3N3O/c1-5-6(7(12)15)4-13-14(5)3-2-8(9,10)11/h4H,2-3H2,1H3,(H2,12,15)
InChIKeyOZFJKDOWXINSAA-UHFFFAOYSA-N
MW221.18 g/mol
LogP1.24
Rot. Bonds3

About 5-methyl-1-(3,3,3-trifluoropropyl)pyrazole-4-carboxamide

5-methyl-1-(3,3,3-trifluoropropyl)pyrazole-4-carboxamide (PubChem CID 175848661) has the molecular formula C8H10F3N3O and a molecular weight of 221.18 g/mol. Its IUPAC name is 5-methyl-1-(3,3,3-trifluoropropyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-1-(3,3,3-trifluoropropyl)pyrazole-4-carboxamide
PubChem CID175848661
Molecular FormulaC8H10F3N3O
Molecular Weight221.18 g/mol
Exact Mass221.08
IUPAC Name5-methyl-1-(3,3,3-trifluoropropyl)pyrazole-4-carboxamide
SMILESCc1c(C(N)=O)cnn1CCC(F)(F)F
InChIInChI=1S/C8H10F3N3O/c1-5-6(7(12)15)4-13-14(5)3-2-8(9,10)11/h4H,2-3H2,1H3,(H2,12,15)
InChIKeyOZFJKDOWXINSAA-UHFFFAOYSA-N
XLogP1.24
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.18
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-methyl-1-(3,3,3-trifluoropropyl)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

5-methyl-1-(4,4,4-trifluorobutyl)pyrazole-4-carboxylic acid
CID 115514373
ethyl 4-bromo-1-(3,3,3-trifluoropropyl)pyrazole-5-carboxylate
CID 122171230
1-(3-fluoropropyl)-5-methylpyrazole-4-carboxylic acid
CID 81113615
5-methyl-N-[[7-[(4,4,4-trifluorobutanoylamino)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-1-(3,3,3-trifluoropropyl)pyrazole-4-carboxamide
CID 166825331
5-methyl-1-(3,3,3-trifluoropropyl)triazol-4-amine
CID 79542212
ethyl 5-(aminomethyl)-1-(3,3,3-trifluoropropyl)triazole-4-carboxylate
CID 103111110
ethyl 1-(2-amino-2-sulfanylideneethyl)-5-methylpyrazole-4-carboxylate
CID 58127856
1-(4-cyano-4-methylpentyl)-5-methylpyrazole-4-carboxylic acid
CID 65255882
N-[(7-chloroimidazo[1,2-b]pyridazin-2-yl)methyl]-5-methyl-1-(3,3,3-trifluoropropyl)pyrazole-4-carboxamide;1,1-difluorocyclohexane
CID 157031405
ethyl 5-methyl-1-(3-methylbutyl)pyrazole-4-carboxylate
CID 63235032
3-(4-acetyl-5-methylpyrazol-1-yl)propanenitrile
CID 43364145
2-(3,3,3-trifluoropropyl)pyrazole-3-carboxylic acid
CID 50896725

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-(3,3,3-trifluoropropyl)pyrazole-4-carboxamide?
The IUPAC name of 5-methyl-1-(3,3,3-trifluoropropyl)pyrazole-4-carboxamide (CID 175848661) is 5-methyl-1-(3,3,3-trifluoropropyl)pyrazole-4-carboxamide.
What is the SMILES notation for 5-methyl-1-(3,3,3-trifluoropropyl)pyrazole-4-carboxamide?
The canonical SMILES for 5-methyl-1-(3,3,3-trifluoropropyl)pyrazole-4-carboxamide is Cc1c(C(N)=O)cnn1CCC(F)(F)F.
What is the InChIKey of 5-methyl-1-(3,3,3-trifluoropropyl)pyrazole-4-carboxamide?
The InChIKey is OZFJKDOWXINSAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N3O/c1-5-6(7(12)15)4-13-14(5)3-2-8(9,10)11/h4H,2-3H2,1H3,(H2,12,15).
What are the key properties of 5-methyl-1-(3,3,3-trifluoropropyl)pyrazole-4-carboxamide?
5-methyl-1-(3,3,3-trifluoropropyl)pyrazole-4-carboxamide has a molecular weight of 221.18 g/mol, XLogP of 1.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-(3,3,3-trifluoropropyl)pyrazole-4-carboxamide is sourced from PubChem (CID 175848661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).