N-[1-(2,2-difluoroethyl)pyrazol-4-yl]pyrrolidine-3-carboxamide

C10H14F2N4O — CID 119792891

IUPACN-[1-(2,2-difluoroethyl)pyrazol-4-yl]pyrrolidine-3-carboxamide
SMILESO=C(Nc1cnn(CC(F)F)c1)C1CCNC1
InChIInChI=1S/C10H14F2N4O/c11-9(12)6-16-5-8(4-14-16)15-10(17)7-1-2-13-3-7/h4-5,7,9,13H,1-3,6H2,(H,15,17)
InChIKeyFTOVCFWNEUZNPT-UHFFFAOYSA-N
MW244.24 g/mol
LogP0.70
Rot. Bonds4

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

N-[1-(2,2-difluoroethyl)pyrazol-4-yl]pyrrolidine-3-carboxamide (PubChem CID 119792891) has the molecular formula C10H14F2N4O and a molecular weight of 244.24 g/mol. Its IUPAC name is N-[1-(2,2-difluoroethyl)pyrazol-4-yl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(2,2-difluoroethyl)pyrazol-4-yl]pyrrolidine-3-carboxamide
PubChem CID119792891
Molecular FormulaC10H14F2N4O
Molecular Weight244.24 g/mol
Exact Mass244.11
IUPAC NameN-[1-(2,2-difluoroethyl)pyrazol-4-yl]pyrrolidine-3-carboxamide
SMILESO=C(Nc1cnn(CC(F)F)c1)C1CCNC1
InChIInChI=1S/C10H14F2N4O/c11-9(12)6-16-5-8(4-14-16)15-10(17)7-1-2-13-3-7/h4-5,7,9,13H,1-3,6H2,(H,15,17)
InChIKeyFTOVCFWNEUZNPT-UHFFFAOYSA-N
XLogP0.70
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.24
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2,2-difluoroethyl)pyrazol-4-yl]pyrrolidine-3-carboxamide?
The IUPAC name of N-[1-(2,2-difluoroethyl)pyrazol-4-yl]pyrrolidine-3-carboxamide (CID 119792891) is N-[1-(2,2-difluoroethyl)pyrazol-4-yl]pyrrolidine-3-carboxamide.
What is the SMILES notation for N-[1-(2,2-difluoroethyl)pyrazol-4-yl]pyrrolidine-3-carboxamide?
The canonical SMILES for N-[1-(2,2-difluoroethyl)pyrazol-4-yl]pyrrolidine-3-carboxamide is O=C(Nc1cnn(CC(F)F)c1)C1CCNC1.
What is the InChIKey of N-[1-(2,2-difluoroethyl)pyrazol-4-yl]pyrrolidine-3-carboxamide?
The InChIKey is FTOVCFWNEUZNPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F2N4O/c11-9(12)6-16-5-8(4-14-16)15-10(17)7-1-2-13-3-7/h4-5,7,9,13H,1-3,6H2,(H,15,17).
What are the key properties of N-[1-(2,2-difluoroethyl)pyrazol-4-yl]pyrrolidine-3-carboxamide?
N-[1-(2,2-difluoroethyl)pyrazol-4-yl]pyrrolidine-3-carboxamide has a molecular weight of 244.24 g/mol, XLogP of 0.70, 4 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]pyrrolidine-3-carboxamide is sourced from PubChem (CID 119792891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).