1-methyl-5-(4,4,4-trifluorobutanoylamino)pyrazole-4-carboxamide

C9H11F3N4O2 — CID 122616768

IUPAC1-methyl-5-(4,4,4-trifluorobutanoylamino)pyrazole-4-carboxamide
SMILESCn1ncc(C(N)=O)c1NC(=O)CCC(F)(F)F
InChIInChI=1S/C9H11F3N4O2/c1-16-8(5(4-14-16)7(13)18)15-6(17)2-3-9(10,11)12/h4H,2-3H2,1H3,(H2,13,18)(H,15,17)
InChIKeySYUSRUMNXCMVRB-UHFFFAOYSA-N
MW264.21 g/mol
LogP0.80
Rot. Bonds4

About 1-methyl-5-(4,4,4-trifluorobutanoylamino)pyrazole-4-carboxamide

1-methyl-5-(4,4,4-trifluorobutanoylamino)pyrazole-4-carboxamide (PubChem CID 122616768) has the molecular formula C9H11F3N4O2 and a molecular weight of 264.21 g/mol. Its IUPAC name is 1-methyl-5-(4,4,4-trifluorobutanoylamino)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-methyl-5-(4,4,4-trifluorobutanoylamino)pyrazole-4-carboxamide
PubChem CID122616768
Molecular FormulaC9H11F3N4O2
Molecular Weight264.21 g/mol
Exact Mass264.08
IUPAC Name1-methyl-5-(4,4,4-trifluorobutanoylamino)pyrazole-4-carboxamide
SMILESCn1ncc(C(N)=O)c1NC(=O)CCC(F)(F)F
InChIInChI=1S/C9H11F3N4O2/c1-16-8(5(4-14-16)7(13)18)15-6(17)2-3-9(10,11)12/h4H,2-3H2,1H3,(H2,13,18)(H,15,17)
InChIKeySYUSRUMNXCMVRB-UHFFFAOYSA-N
XLogP0.80
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.21
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-methyl-5-(4,4,4-trifluorobutanoylamino)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

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-(4,4,4-trifluorobutanoylamino)pyrazole-4-carboxamide?
The IUPAC name of 1-methyl-5-(4,4,4-trifluorobutanoylamino)pyrazole-4-carboxamide (CID 122616768) is 1-methyl-5-(4,4,4-trifluorobutanoylamino)pyrazole-4-carboxamide.
What is the SMILES notation for 1-methyl-5-(4,4,4-trifluorobutanoylamino)pyrazole-4-carboxamide?
The canonical SMILES for 1-methyl-5-(4,4,4-trifluorobutanoylamino)pyrazole-4-carboxamide is Cn1ncc(C(N)=O)c1NC(=O)CCC(F)(F)F.
What is the InChIKey of 1-methyl-5-(4,4,4-trifluorobutanoylamino)pyrazole-4-carboxamide?
The InChIKey is SYUSRUMNXCMVRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N4O2/c1-16-8(5(4-14-16)7(13)18)15-6(17)2-3-9(10,11)12/h4H,2-3H2,1H3,(H2,13,18)(H,15,17).
What are the key properties of 1-methyl-5-(4,4,4-trifluorobutanoylamino)pyrazole-4-carboxamide?
1-methyl-5-(4,4,4-trifluorobutanoylamino)pyrazole-4-carboxamide has a molecular weight of 264.21 g/mol, XLogP of 0.80, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-(4,4,4-trifluorobutanoylamino)pyrazole-4-carboxamide is sourced from PubChem (CID 122616768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).