2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-1-pyrrolidin-1-ylethanone

C13H17F2N3O — CID 892173

IUPAC2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-1-pyrrolidin-1-ylethanone
SMILESO=C(Cn1nc(C(F)F)cc1C1CC1)N1CCCC1
InChIInChI=1S/C13H17F2N3O/c14-13(15)10-7-11(9-3-4-9)18(16-10)8-12(19)17-5-1-2-6-17/h7,9,13H,1-6,8H2
InChIKeyBEVWYJVVOSXUHT-UHFFFAOYSA-N
MW269.29 g/mol
LogP2.32
Rot. Bonds4

About 2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-1-pyrrolidin-1-ylethanone

2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-1-pyrrolidin-1-ylethanone (PubChem CID 892173) has the molecular formula C13H17F2N3O and a molecular weight of 269.29 g/mol. Its IUPAC name is 2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-1-pyrrolidin-1-ylethanone
PubChem CID892173
Molecular FormulaC13H17F2N3O
Molecular Weight269.29 g/mol
Exact Mass269.13
IUPAC Name2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-1-pyrrolidin-1-ylethanone
SMILESO=C(Cn1nc(C(F)F)cc1C1CC1)N1CCCC1
InChIInChI=1S/C13H17F2N3O/c14-13(15)10-7-11(9-3-4-9)18(16-10)8-12(19)17-5-1-2-6-17/h7,9,13H,1-6,8H2
InChIKeyBEVWYJVVOSXUHT-UHFFFAOYSA-N
XLogP2.32
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.29
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-1-pyrrolidin-1-ylethanone (CID 892173) is 2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-1-pyrrolidin-1-ylethanone is O=C(Cn1nc(C(F)F)cc1C1CC1)N1CCCC1.
What is the InChIKey of 2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-1-pyrrolidin-1-ylethanone?
The InChIKey is BEVWYJVVOSXUHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2N3O/c14-13(15)10-7-11(9-3-4-9)18(16-10)8-12(19)17-5-1-2-6-17/h7,9,13H,1-6,8H2.
What are the key properties of 2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-1-pyrrolidin-1-ylethanone?
2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-1-pyrrolidin-1-ylethanone has a molecular weight of 269.29 g/mol, XLogP of 2.32, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 892173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).