(3,3-difluoropyrrolidin-1-yl)-(1H-pyrazol-4-yl)methanone

C8H9F2N3O — CID 122269196

IUPAC(3,3-difluoropyrrolidin-1-yl)-(1H-pyrazol-4-yl)methanone
SMILESO=C(c1cn[nH]c1)N1CCC(F)(F)C1
InChIInChI=1S/C8H9F2N3O/c9-8(10)1-2-13(5-8)7(14)6-3-11-12-4-6/h3-4H,1-2,5H2,(H,11,12)
InChIKeyRAHMVVLFOHTZEI-UHFFFAOYSA-N
MW201.18 g/mol
LogP0.89
Rot. Bonds1

About (3,3-difluoropyrrolidin-1-yl)-(1H-pyrazol-4-yl)methanone

(3,3-difluoropyrrolidin-1-yl)-(1H-pyrazol-4-yl)methanone (PubChem CID 122269196) has the molecular formula C8H9F2N3O and a molecular weight of 201.18 g/mol. Its IUPAC name is (3,3-difluoropyrrolidin-1-yl)-(1H-pyrazol-4-yl)methanone.

Molecular Properties

Compound Name(3,3-difluoropyrrolidin-1-yl)-(1H-pyrazol-4-yl)methanone
PubChem CID122269196
Molecular FormulaC8H9F2N3O
Molecular Weight201.18 g/mol
Exact Mass201.07
IUPAC Name(3,3-difluoropyrrolidin-1-yl)-(1H-pyrazol-4-yl)methanone
SMILESO=C(c1cn[nH]c1)N1CCC(F)(F)C1
InChIInChI=1S/C8H9F2N3O/c9-8(10)1-2-13(5-8)7(14)6-3-11-12-4-6/h3-4H,1-2,5H2,(H,11,12)
InChIKeyRAHMVVLFOHTZEI-UHFFFAOYSA-N
XLogP0.89
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.18
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3,3-difluoropyrrolidin-1-yl)-(1H-pyrazol-4-yl)methanone?
The IUPAC name of (3,3-difluoropyrrolidin-1-yl)-(1H-pyrazol-4-yl)methanone (CID 122269196) is (3,3-difluoropyrrolidin-1-yl)-(1H-pyrazol-4-yl)methanone.
What is the SMILES notation for (3,3-difluoropyrrolidin-1-yl)-(1H-pyrazol-4-yl)methanone?
The canonical SMILES for (3,3-difluoropyrrolidin-1-yl)-(1H-pyrazol-4-yl)methanone is O=C(c1cn[nH]c1)N1CCC(F)(F)C1.
What is the InChIKey of (3,3-difluoropyrrolidin-1-yl)-(1H-pyrazol-4-yl)methanone?
The InChIKey is RAHMVVLFOHTZEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F2N3O/c9-8(10)1-2-13(5-8)7(14)6-3-11-12-4-6/h3-4H,1-2,5H2,(H,11,12).
What are the key properties of (3,3-difluoropyrrolidin-1-yl)-(1H-pyrazol-4-yl)methanone?
(3,3-difluoropyrrolidin-1-yl)-(1H-pyrazol-4-yl)methanone has a molecular weight of 201.18 g/mol, XLogP of 0.89, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-difluoropyrrolidin-1-yl)-(1H-pyrazol-4-yl)methanone is sourced from PubChem (CID 122269196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).