1-[2-(3,4-difluorophenyl)ethyl]pyrazole-4-carboxamide

C12H11F2N3O — CID 136521225

IUPAC1-[2-(3,4-difluorophenyl)ethyl]pyrazole-4-carboxamide
SMILESNC(=O)c1cnn(CCc2ccc(F)c(F)c2)c1
InChIInChI=1S/C12H11F2N3O/c13-10-2-1-8(5-11(10)14)3-4-17-7-9(6-16-17)12(15)18/h1-2,5-7H,3-4H2,(H2,15,18)
InChIKeyGMTCVPLJGVGJJN-UHFFFAOYSA-N
MW251.24 g/mol
LogP1.50
Rot. Bonds4

About 1-[2-(3,4-difluorophenyl)ethyl]pyrazole-4-carboxamide

1-[2-(3,4-difluorophenyl)ethyl]pyrazole-4-carboxamide (PubChem CID 136521225) has the molecular formula C12H11F2N3O and a molecular weight of 251.24 g/mol. Its IUPAC name is 1-[2-(3,4-difluorophenyl)ethyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-[2-(3,4-difluorophenyl)ethyl]pyrazole-4-carboxamide
PubChem CID136521225
Molecular FormulaC12H11F2N3O
Molecular Weight251.24 g/mol
Exact Mass251.09
IUPAC Name1-[2-(3,4-difluorophenyl)ethyl]pyrazole-4-carboxamide
SMILESNC(=O)c1cnn(CCc2ccc(F)c(F)c2)c1
InChIInChI=1S/C12H11F2N3O/c13-10-2-1-8(5-11(10)14)3-4-17-7-9(6-16-17)12(15)18/h1-2,5-7H,3-4H2,(H2,15,18)
InChIKeyGMTCVPLJGVGJJN-UHFFFAOYSA-N
XLogP1.50
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.24
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[2-(3,4-difluorophenyl)ethyl]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-[2-(3,4-difluorophenyl)ethyl]pyrazole-4-carboxamide?
The IUPAC name of 1-[2-(3,4-difluorophenyl)ethyl]pyrazole-4-carboxamide (CID 136521225) is 1-[2-(3,4-difluorophenyl)ethyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-[2-(3,4-difluorophenyl)ethyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-[2-(3,4-difluorophenyl)ethyl]pyrazole-4-carboxamide is NC(=O)c1cnn(CCc2ccc(F)c(F)c2)c1.
What is the InChIKey of 1-[2-(3,4-difluorophenyl)ethyl]pyrazole-4-carboxamide?
The InChIKey is GMTCVPLJGVGJJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F2N3O/c13-10-2-1-8(5-11(10)14)3-4-17-7-9(6-16-17)12(15)18/h1-2,5-7H,3-4H2,(H2,15,18).
What are the key properties of 1-[2-(3,4-difluorophenyl)ethyl]pyrazole-4-carboxamide?
1-[2-(3,4-difluorophenyl)ethyl]pyrazole-4-carboxamide has a molecular weight of 251.24 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,4-difluorophenyl)ethyl]pyrazole-4-carboxamide is sourced from PubChem (CID 136521225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).