3,3-difluoro-N-[1-[2-(2-oxoimidazolidin-1-yl)ethyl]pyrazol-3-yl]pyrrolidine-1-carboxamide

C13H18F2N6O2 — CID 138026137

IUPAC3,3-difluoro-N-[1-[2-(2-oxoimidazolidin-1-yl)ethyl]pyrazol-3-yl]pyrrolidine-1-carboxamide
SMILESO=C1NCCN1CCn1ccc(NC(=O)N2CCC(F)(F)C2)n1
InChIInChI=1S/C13H18F2N6O2/c14-13(15)2-5-20(9-13)12(23)17-10-1-4-21(18-10)8-7-19-6-3-16-11(19)22/h1,4H,2-3,5-9H2,(H,16,22)(H,17,18,23)
InChIKeyJRSNMHCLFSCWPQ-UHFFFAOYSA-N
MW328.32 g/mol
LogP0.78
Rot. Bonds4

About 3,3-difluoro-N-[1-[2-(2-oxoimidazolidin-1-yl)ethyl]pyrazol-3-yl]pyrrolidine-1-carboxamide

3,3-difluoro-N-[1-[2-(2-oxoimidazolidin-1-yl)ethyl]pyrazol-3-yl]pyrrolidine-1-carboxamide (PubChem CID 138026137) has the molecular formula C13H18F2N6O2 and a molecular weight of 328.32 g/mol. Its IUPAC name is 3,3-difluoro-N-[1-[2-(2-oxoimidazolidin-1-yl)ethyl]pyrazol-3-yl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name3,3-difluoro-N-[1-[2-(2-oxoimidazolidin-1-yl)ethyl]pyrazol-3-yl]pyrrolidine-1-carboxamide
PubChem CID138026137
Molecular FormulaC13H18F2N6O2
Molecular Weight328.32 g/mol
Exact Mass328.15
IUPAC Name3,3-difluoro-N-[1-[2-(2-oxoimidazolidin-1-yl)ethyl]pyrazol-3-yl]pyrrolidine-1-carboxamide
SMILESO=C1NCCN1CCn1ccc(NC(=O)N2CCC(F)(F)C2)n1
InChIInChI=1S/C13H18F2N6O2/c14-13(15)2-5-20(9-13)12(23)17-10-1-4-21(18-10)8-7-19-6-3-16-11(19)22/h1,4H,2-3,5-9H2,(H,16,22)(H,17,18,23)
InChIKeyJRSNMHCLFSCWPQ-UHFFFAOYSA-N
XLogP0.78
TPSA82.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.32
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-Butyl-3-(1-methylpyrazol-3-yl)urea
CID 2807715
1-(2-(3-amino-1H-pyrazol-1-yl)ethyl)imidazolidin-2-one
CID 54594860
n-(2-Chloroethyl)-3-(2-oxoimidazolidin-1-yl)-1h-pyrazole-1-carboxamide
CID 59794360
1-[1-[2-(Dimethylamino)ethyl]pyrazol-3-yl]-3-pentan-3-ylurea
CID 56795480
N-(1-cyclohexyl-1H-pyrazol-5-yl)-N'-[2-(2-oxoimidazolidin-1-yl)ethyl]urea
CID 72860414
1-Pyrrolidin-1-yl-2-[[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]amino]propan-1-one
CID 86795461
4-(2,2-difluoroethyl)-N-(2-methylpyrazol-3-yl)-1,4-diazepane-1-carboxamide
CID 86800099
1-[[(3S)-1-acetylpyrrolidin-3-yl]methyl]-1-methyl-3-[1-(3-methylbutyl)pyrazol-3-yl]urea
CID 97080822
(3R)-3-(pyrrolidin-1-ylmethyl)-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]pyrrolidine-1-carboxamide
CID 97333918
1-[(2S)-2-[[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]amino]propanoyl]imidazolidin-2-one
CID 97835953
1-(2-Methyl-1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-3-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]urea
CID 100767574
(5S)-3-(2-propan-2-ylpyrazol-3-yl)-5-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione
CID 124293901

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-N-[1-[2-(2-oxoimidazolidin-1-yl)ethyl]pyrazol-3-yl]pyrrolidine-1-carboxamide?
The IUPAC name of 3,3-difluoro-N-[1-[2-(2-oxoimidazolidin-1-yl)ethyl]pyrazol-3-yl]pyrrolidine-1-carboxamide (CID 138026137) is 3,3-difluoro-N-[1-[2-(2-oxoimidazolidin-1-yl)ethyl]pyrazol-3-yl]pyrrolidine-1-carboxamide.
What is the SMILES notation for 3,3-difluoro-N-[1-[2-(2-oxoimidazolidin-1-yl)ethyl]pyrazol-3-yl]pyrrolidine-1-carboxamide?
The canonical SMILES for 3,3-difluoro-N-[1-[2-(2-oxoimidazolidin-1-yl)ethyl]pyrazol-3-yl]pyrrolidine-1-carboxamide is O=C1NCCN1CCn1ccc(NC(=O)N2CCC(F)(F)C2)n1.
What is the InChIKey of 3,3-difluoro-N-[1-[2-(2-oxoimidazolidin-1-yl)ethyl]pyrazol-3-yl]pyrrolidine-1-carboxamide?
The InChIKey is JRSNMHCLFSCWPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N6O2/c14-13(15)2-5-20(9-13)12(23)17-10-1-4-21(18-10)8-7-19-6-3-16-11(19)22/h1,4H,2-3,5-9H2,(H,16,22)(H,17,18,23).
What are the key properties of 3,3-difluoro-N-[1-[2-(2-oxoimidazolidin-1-yl)ethyl]pyrazol-3-yl]pyrrolidine-1-carboxamide?
3,3-difluoro-N-[1-[2-(2-oxoimidazolidin-1-yl)ethyl]pyrazol-3-yl]pyrrolidine-1-carboxamide has a molecular weight of 328.32 g/mol, XLogP of 0.78, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-N-[1-[2-(2-oxoimidazolidin-1-yl)ethyl]pyrazol-3-yl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 138026137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).