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

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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).