(4,4-difluoropiperidin-1-yl)-(3,5-dimethyl-1H-pyrazol-4-yl)methanone

C11H15F2N3O — CID 119103499

IUPAC(4,4-difluoropiperidin-1-yl)-(3,5-dimethyl-1H-pyrazol-4-yl)methanone
SMILESCc1n[nH]c(C)c1C(=O)N1CCC(F)(F)CC1
InChIInChI=1S/C11H15F2N3O/c1-7-9(8(2)15-14-7)10(17)16-5-3-11(12,13)4-6-16/h3-6H2,1-2H3,(H,14,15)
InChIKeyUGXOYTWDWNCXGB-UHFFFAOYSA-N
MW243.26 g/mol
LogP1.90
Rot. Bonds1

About (4,4-difluoropiperidin-1-yl)-(3,5-dimethyl-1H-pyrazol-4-yl)methanone

(4,4-difluoropiperidin-1-yl)-(3,5-dimethyl-1H-pyrazol-4-yl)methanone (PubChem CID 119103499) has the molecular formula C11H15F2N3O and a molecular weight of 243.26 g/mol. Its IUPAC name is (4,4-difluoropiperidin-1-yl)-(3,5-dimethyl-1H-pyrazol-4-yl)methanone.

Molecular Properties

Compound Name(4,4-difluoropiperidin-1-yl)-(3,5-dimethyl-1H-pyrazol-4-yl)methanone
PubChem CID119103499
Molecular FormulaC11H15F2N3O
Molecular Weight243.26 g/mol
Exact Mass243.12
IUPAC Name(4,4-difluoropiperidin-1-yl)-(3,5-dimethyl-1H-pyrazol-4-yl)methanone
SMILESCc1n[nH]c(C)c1C(=O)N1CCC(F)(F)CC1
InChIInChI=1S/C11H15F2N3O/c1-7-9(8(2)15-14-7)10(17)16-5-3-11(12,13)4-6-16/h3-6H2,1-2H3,(H,14,15)
InChIKeyUGXOYTWDWNCXGB-UHFFFAOYSA-N
XLogP1.90
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4,4-difluoropiperidin-1-yl)-(3,5-dimethyl-1H-pyrazol-4-yl)methanone?
The IUPAC name of (4,4-difluoropiperidin-1-yl)-(3,5-dimethyl-1H-pyrazol-4-yl)methanone (CID 119103499) is (4,4-difluoropiperidin-1-yl)-(3,5-dimethyl-1H-pyrazol-4-yl)methanone.
What is the SMILES notation for (4,4-difluoropiperidin-1-yl)-(3,5-dimethyl-1H-pyrazol-4-yl)methanone?
The canonical SMILES for (4,4-difluoropiperidin-1-yl)-(3,5-dimethyl-1H-pyrazol-4-yl)methanone is Cc1n[nH]c(C)c1C(=O)N1CCC(F)(F)CC1.
What is the InChIKey of (4,4-difluoropiperidin-1-yl)-(3,5-dimethyl-1H-pyrazol-4-yl)methanone?
The InChIKey is UGXOYTWDWNCXGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2N3O/c1-7-9(8(2)15-14-7)10(17)16-5-3-11(12,13)4-6-16/h3-6H2,1-2H3,(H,14,15).
What are the key properties of (4,4-difluoropiperidin-1-yl)-(3,5-dimethyl-1H-pyrazol-4-yl)methanone?
(4,4-difluoropiperidin-1-yl)-(3,5-dimethyl-1H-pyrazol-4-yl)methanone has a molecular weight of 243.26 g/mol, XLogP of 1.90, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-difluoropiperidin-1-yl)-(3,5-dimethyl-1H-pyrazol-4-yl)methanone is sourced from PubChem (CID 119103499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).