1-methyl-5-propyl-3-(trifluoromethyl)pyrazole-4-carboxamide

C9H12F3N3O — CID 140517260

IUPAC1-methyl-5-propyl-3-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCCCc1c(C(N)=O)c(C(F)(F)F)nn1C
InChIInChI=1S/C9H12F3N3O/c1-3-4-5-6(8(13)16)7(9(10,11)12)14-15(5)2/h3-4H2,1-2H3,(H2,13,16)
InChIKeyQKGXEOKDJIYELA-UHFFFAOYSA-N
MW235.21 g/mol
LogP1.49
Rot. Bonds3

About 1-methyl-5-propyl-3-(trifluoromethyl)pyrazole-4-carboxamide

1-methyl-5-propyl-3-(trifluoromethyl)pyrazole-4-carboxamide (PubChem CID 140517260) has the molecular formula C9H12F3N3O and a molecular weight of 235.21 g/mol. Its IUPAC name is 1-methyl-5-propyl-3-(trifluoromethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-methyl-5-propyl-3-(trifluoromethyl)pyrazole-4-carboxamide
PubChem CID140517260
Molecular FormulaC9H12F3N3O
Molecular Weight235.21 g/mol
Exact Mass235.09
IUPAC Name1-methyl-5-propyl-3-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCCCc1c(C(N)=O)c(C(F)(F)F)nn1C
InChIInChI=1S/C9H12F3N3O/c1-3-4-5-6(8(13)16)7(9(10,11)12)14-15(5)2/h3-4H2,1-2H3,(H2,13,16)
InChIKeyQKGXEOKDJIYELA-UHFFFAOYSA-N
XLogP1.49
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.21
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-propyl-3-(trifluoromethyl)pyrazole-4-carboxamide?
The IUPAC name of 1-methyl-5-propyl-3-(trifluoromethyl)pyrazole-4-carboxamide (CID 140517260) is 1-methyl-5-propyl-3-(trifluoromethyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-methyl-5-propyl-3-(trifluoromethyl)pyrazole-4-carboxamide?
The canonical SMILES for 1-methyl-5-propyl-3-(trifluoromethyl)pyrazole-4-carboxamide is CCCc1c(C(N)=O)c(C(F)(F)F)nn1C.
What is the InChIKey of 1-methyl-5-propyl-3-(trifluoromethyl)pyrazole-4-carboxamide?
The InChIKey is QKGXEOKDJIYELA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N3O/c1-3-4-5-6(8(13)16)7(9(10,11)12)14-15(5)2/h3-4H2,1-2H3,(H2,13,16).
What are the key properties of 1-methyl-5-propyl-3-(trifluoromethyl)pyrazole-4-carboxamide?
1-methyl-5-propyl-3-(trifluoromethyl)pyrazole-4-carboxamide has a molecular weight of 235.21 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-propyl-3-(trifluoromethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 140517260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).