(4,4-difluoropiperidin-1-yl)-(1H-pyrazol-4-yl)methanone

C9H11F2N3O — CID 121184606

IUPAC(4,4-difluoropiperidin-1-yl)-(1H-pyrazol-4-yl)methanone
SMILESO=C(c1cn[nH]c1)N1CCC(F)(F)CC1
InChIInChI=1S/C9H11F2N3O/c10-9(11)1-3-14(4-2-9)8(15)7-5-12-13-6-7/h5-6H,1-4H2,(H,12,13)
InChIKeyFVJLPAFGFWAHRD-UHFFFAOYSA-N
MW215.20 g/mol
LogP1.28
Rot. Bonds1

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

(4,4-difluoropiperidin-1-yl)-(1H-pyrazol-4-yl)methanone (PubChem CID 121184606) has the molecular formula C9H11F2N3O and a molecular weight of 215.20 g/mol. Its IUPAC name is (4,4-difluoropiperidin-1-yl)-(1H-pyrazol-4-yl)methanone.

Molecular Properties

Compound Name(4,4-difluoropiperidin-1-yl)-(1H-pyrazol-4-yl)methanone
PubChem CID121184606
Molecular FormulaC9H11F2N3O
Molecular Weight215.20 g/mol
Exact Mass215.09
IUPAC Name(4,4-difluoropiperidin-1-yl)-(1H-pyrazol-4-yl)methanone
SMILESO=C(c1cn[nH]c1)N1CCC(F)(F)CC1
InChIInChI=1S/C9H11F2N3O/c10-9(11)1-3-14(4-2-9)8(15)7-5-12-13-6-7/h5-6H,1-4H2,(H,12,13)
InChIKeyFVJLPAFGFWAHRD-UHFFFAOYSA-N
XLogP1.28
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.20
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (4,4-difluoropiperidin-1-yl)-(1H-pyrazol-4-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 13450481
CID 13450481
CID 43582334
CID 43582334
CID 43582286
CID 43582286
CID 43565570
CID 43565570
CID 77080633
CID 77080633
CID 91834090
CID 91834090
CID 99948671
CID 99948671
CID 122160170
CID 122160170
CID 125526617
CID 125526617
CID 126776789
CID 126776789
CID 43582804
CID 43582804
CID 65532420
CID 65532420

Frequently Asked Questions

What is the IUPAC name of (4,4-difluoropiperidin-1-yl)-(1H-pyrazol-4-yl)methanone?
The IUPAC name of (4,4-difluoropiperidin-1-yl)-(1H-pyrazol-4-yl)methanone (CID 121184606) is (4,4-difluoropiperidin-1-yl)-(1H-pyrazol-4-yl)methanone.
What is the SMILES notation for (4,4-difluoropiperidin-1-yl)-(1H-pyrazol-4-yl)methanone?
The canonical SMILES for (4,4-difluoropiperidin-1-yl)-(1H-pyrazol-4-yl)methanone is O=C(c1cn[nH]c1)N1CCC(F)(F)CC1.
What is the InChIKey of (4,4-difluoropiperidin-1-yl)-(1H-pyrazol-4-yl)methanone?
The InChIKey is FVJLPAFGFWAHRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F2N3O/c10-9(11)1-3-14(4-2-9)8(15)7-5-12-13-6-7/h5-6H,1-4H2,(H,12,13).
What are the key properties of (4,4-difluoropiperidin-1-yl)-(1H-pyrazol-4-yl)methanone?
(4,4-difluoropiperidin-1-yl)-(1H-pyrazol-4-yl)methanone has a molecular weight of 215.20 g/mol, XLogP of 1.28, 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)-(1H-pyrazol-4-yl)methanone is sourced from PubChem (CID 121184606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).