N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-2-pyrrolidin-2-ylacetamide

C11H16F2N4O — CID 119792885

IUPACN-[1-(2,2-difluoroethyl)pyrazol-4-yl]-2-pyrrolidin-2-ylacetamide
SMILESO=C(CC1CCCN1)Nc1cnn(CC(F)F)c1
InChIInChI=1S/C11H16F2N4O/c12-10(13)7-17-6-9(5-15-17)16-11(18)4-8-2-1-3-14-8/h5-6,8,10,14H,1-4,7H2,(H,16,18)
InChIKeyHFGVWGNLQBDDKK-UHFFFAOYSA-N
MW258.27 g/mol
LogP1.23
Rot. Bonds5

About N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-2-pyrrolidin-2-ylacetamide

N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-2-pyrrolidin-2-ylacetamide (PubChem CID 119792885) has the molecular formula C11H16F2N4O and a molecular weight of 258.27 g/mol. Its IUPAC name is N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-2-pyrrolidin-2-ylacetamide.

Molecular Properties

Compound NameN-[1-(2,2-difluoroethyl)pyrazol-4-yl]-2-pyrrolidin-2-ylacetamide
PubChem CID119792885
Molecular FormulaC11H16F2N4O
Molecular Weight258.27 g/mol
Exact Mass258.13
IUPAC NameN-[1-(2,2-difluoroethyl)pyrazol-4-yl]-2-pyrrolidin-2-ylacetamide
SMILESO=C(CC1CCCN1)Nc1cnn(CC(F)F)c1
InChIInChI=1S/C11H16F2N4O/c12-10(13)7-17-6-9(5-15-17)16-11(18)4-8-2-1-3-14-8/h5-6,8,10,14H,1-4,7H2,(H,16,18)
InChIKeyHFGVWGNLQBDDKK-UHFFFAOYSA-N
XLogP1.23
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.27
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-2-pyrrolidin-2-ylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]pyrazol-4-yl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119800877
N-[1-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]pyrazol-4-yl]-2-pyrrolidin-2-ylacetamide;dihydrochloride
CID 119893042
N-[1-(2,2-difluoroethyl)pyrazol-4-yl]piperidine-4-carboxamide;hydrochloride
CID 119328781
1-(2,2-difluoroethyl)-N-(pyrrolidin-2-ylmethyl)pyrazole-4-sulfonamide
CID 120709011
1-cyclohexyl-3-[1-(2,2-difluoroethyl)pyrazol-4-yl]-1-methylurea
CID 126780377
N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-1-hydroxycyclopentane-1-carboxamide
CID 111458225
N-(3-fluorophenyl)-2-pyrrolidin-2-ylacetamide
CID 61371784
N-methyl-2-[4-(pyrrolidin-2-ylmethylamino)pyrazol-1-yl]acetamide
CID 106637998
N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 119328772
N-(2-tert-butylpyrimidin-5-yl)-2-pyrrolidin-2-ylacetamide
CID 119752785
N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-2,2-dimethylcyclopropane-1-carboxamide
CID 136517272
N-(4-acetamidophenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119669050

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-2-pyrrolidin-2-ylacetamide?
The IUPAC name of N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-2-pyrrolidin-2-ylacetamide (CID 119792885) is N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-2-pyrrolidin-2-ylacetamide.
What is the SMILES notation for N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-2-pyrrolidin-2-ylacetamide?
The canonical SMILES for N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-2-pyrrolidin-2-ylacetamide is O=C(CC1CCCN1)Nc1cnn(CC(F)F)c1.
What is the InChIKey of N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-2-pyrrolidin-2-ylacetamide?
The InChIKey is HFGVWGNLQBDDKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F2N4O/c12-10(13)7-17-6-9(5-15-17)16-11(18)4-8-2-1-3-14-8/h5-6,8,10,14H,1-4,7H2,(H,16,18).
What are the key properties of N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-2-pyrrolidin-2-ylacetamide?
N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-2-pyrrolidin-2-ylacetamide has a molecular weight of 258.27 g/mol, XLogP of 1.23, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-2-pyrrolidin-2-ylacetamide is sourced from PubChem (CID 119792885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).