4-(2,2-difluoroethyl)-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]piperazine-1-carboxamide

C14H24F2N6O — CID 71991893

IUPAC4-(2,2-difluoroethyl)-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]piperazine-1-carboxamide
SMILESCN(C)CCn1ccc(NC(=O)N2CCN(CC(F)F)CC2)n1
InChIInChI=1S/C14H24F2N6O/c1-19(2)5-10-22-4-3-13(18-22)17-14(23)21-8-6-20(7-9-21)11-12(15)16/h3-4,12H,5-11H2,1-2H3,(H,17,18,23)
InChIKeyGGYJXIZFNXBVCY-UHFFFAOYSA-N
MW330.38 g/mol
LogP0.86
Rot. Bonds6

About 4-(2,2-difluoroethyl)-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]piperazine-1-carboxamide

4-(2,2-difluoroethyl)-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]piperazine-1-carboxamide (PubChem CID 71991893) has the molecular formula C14H24F2N6O and a molecular weight of 330.38 g/mol. Its IUPAC name is 4-(2,2-difluoroethyl)-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(2,2-difluoroethyl)-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]piperazine-1-carboxamide
PubChem CID71991893
Molecular FormulaC14H24F2N6O
Molecular Weight330.38 g/mol
Exact Mass330.20
IUPAC Name4-(2,2-difluoroethyl)-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]piperazine-1-carboxamide
SMILESCN(C)CCn1ccc(NC(=O)N2CCN(CC(F)F)CC2)n1
InChIInChI=1S/C14H24F2N6O/c1-19(2)5-10-22-4-3-13(18-22)17-14(23)21-8-6-20(7-9-21)11-12(15)16/h3-4,12H,5-11H2,1-2H3,(H,17,18,23)
InChIKeyGGYJXIZFNXBVCY-UHFFFAOYSA-N
XLogP0.86
TPSA56.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(2,2-difluoroethyl)-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]piperazine-1-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 4-(2,2-difluoroethyl)-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]piperazine-1-carboxamide?
The IUPAC name of 4-(2,2-difluoroethyl)-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]piperazine-1-carboxamide (CID 71991893) is 4-(2,2-difluoroethyl)-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]piperazine-1-carboxamide.
What is the SMILES notation for 4-(2,2-difluoroethyl)-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]piperazine-1-carboxamide?
The canonical SMILES for 4-(2,2-difluoroethyl)-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]piperazine-1-carboxamide is CN(C)CCn1ccc(NC(=O)N2CCN(CC(F)F)CC2)n1.
What is the InChIKey of 4-(2,2-difluoroethyl)-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]piperazine-1-carboxamide?
The InChIKey is GGYJXIZFNXBVCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24F2N6O/c1-19(2)5-10-22-4-3-13(18-22)17-14(23)21-8-6-20(7-9-21)11-12(15)16/h3-4,12H,5-11H2,1-2H3,(H,17,18,23).
What are the key properties of 4-(2,2-difluoroethyl)-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]piperazine-1-carboxamide?
4-(2,2-difluoroethyl)-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]piperazine-1-carboxamide has a molecular weight of 330.38 g/mol, XLogP of 0.86, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-difluoroethyl)-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]piperazine-1-carboxamide is sourced from PubChem (CID 71991893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).