1-[[4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]methyl]pyrazole-3-carboxamide

C10H10F2N4OS — CID 70864557

IUPAC1-[[4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]methyl]pyrazole-3-carboxamide
SMILESCC(F)(F)c1csc(Cn2ccc(C(N)=O)n2)n1
InChIInChI=1S/C10H10F2N4OS/c1-10(11,12)7-5-18-8(14-7)4-16-3-2-6(15-16)9(13)17/h2-3,5H,4H2,1H3,(H2,13,17)
InChIKeyQXZMXDOPJPIUTN-UHFFFAOYSA-N
MW272.28 g/mol
LogP1.60
Rot. Bonds4

About 1-[[4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]methyl]pyrazole-3-carboxamide

1-[[4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]methyl]pyrazole-3-carboxamide (PubChem CID 70864557) has the molecular formula C10H10F2N4OS and a molecular weight of 272.28 g/mol. Its IUPAC name is 1-[[4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]methyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-[[4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]methyl]pyrazole-3-carboxamide
PubChem CID70864557
Molecular FormulaC10H10F2N4OS
Molecular Weight272.28 g/mol
Exact Mass272.05
IUPAC Name1-[[4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]methyl]pyrazole-3-carboxamide
SMILESCC(F)(F)c1csc(Cn2ccc(C(N)=O)n2)n1
InChIInChI=1S/C10H10F2N4OS/c1-10(11,12)7-5-18-8(14-7)4-16-3-2-6(15-16)9(13)17/h2-3,5H,4H2,1H3,(H2,13,17)
InChIKeyQXZMXDOPJPIUTN-UHFFFAOYSA-N
XLogP1.60
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.28
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[[4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]methyl]pyrazole-3-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-[[4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]methyl]pyrazole-3-carboxamide?
The IUPAC name of 1-[[4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]methyl]pyrazole-3-carboxamide (CID 70864557) is 1-[[4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]methyl]pyrazole-3-carboxamide.
What is the SMILES notation for 1-[[4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]methyl]pyrazole-3-carboxamide?
The canonical SMILES for 1-[[4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]methyl]pyrazole-3-carboxamide is CC(F)(F)c1csc(Cn2ccc(C(N)=O)n2)n1.
What is the InChIKey of 1-[[4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]methyl]pyrazole-3-carboxamide?
The InChIKey is QXZMXDOPJPIUTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F2N4OS/c1-10(11,12)7-5-18-8(14-7)4-16-3-2-6(15-16)9(13)17/h2-3,5H,4H2,1H3,(H2,13,17).
What are the key properties of 1-[[4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]methyl]pyrazole-3-carboxamide?
1-[[4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]methyl]pyrazole-3-carboxamide has a molecular weight of 272.28 g/mol, XLogP of 1.60, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]methyl]pyrazole-3-carboxamide is sourced from PubChem (CID 70864557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).