2,2-difluoro-1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone

C10H13F2N3O — CID 103514888

IUPAC2,2-difluoro-1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone
SMILESO=C(C(F)F)N1CCCC(c2ccn[nH]2)C1
InChIInChI=1S/C10H13F2N3O/c11-9(12)10(16)15-5-1-2-7(6-15)8-3-4-13-14-8/h3-4,7,9H,1-2,5-6H2,(H,13,14)
InChIKeyCTCMNPABLHRBJJ-UHFFFAOYSA-N
MW229.23 g/mol
LogP1.38
Rot. Bonds2

About 2,2-difluoro-1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone

2,2-difluoro-1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone (PubChem CID 103514888) has the molecular formula C10H13F2N3O and a molecular weight of 229.23 g/mol. Its IUPAC name is 2,2-difluoro-1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2,2-difluoro-1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone
PubChem CID103514888
Molecular FormulaC10H13F2N3O
Molecular Weight229.23 g/mol
Exact Mass229.10
IUPAC Name2,2-difluoro-1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone
SMILESO=C(C(F)F)N1CCCC(c2ccn[nH]2)C1
InChIInChI=1S/C10H13F2N3O/c11-9(12)10(16)15-5-1-2-7(6-15)8-3-4-13-14-8/h3-4,7,9H,1-2,5-6H2,(H,13,14)
InChIKeyCTCMNPABLHRBJJ-UHFFFAOYSA-N
XLogP1.38
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.23
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-3-oxo-3-[3-(1H-pyrazol-5-yl)piperidin-1-yl]propanoic acid
CID 114897652
(2R)-2-amino-3-methyl-1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]butan-1-one
CID 79012541
1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone
CID 62867071
cyclopropyl-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 62866717
2-(aminomethyl)-1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]butan-1-one
CID 65227203
6-amino-2-methyl-1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]heptan-1-one
CID 65292377
cyclopent-3-en-1-yl-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 95775037
(4,4-difluorocyclohexyl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 110271226
3-(propan-2-ylamino)-1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one
CID 54873257
[3-(1H-pyrazol-5-yl)piperidin-1-yl]-(2H-triazol-4-yl)methanone
CID 78917987
1-phenyl-4-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]butane-1,4-dione
CID 97080910
(2-aminocyclohexyl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 64824388

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone?
The IUPAC name of 2,2-difluoro-1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone (CID 103514888) is 2,2-difluoro-1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2,2-difluoro-1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone?
The canonical SMILES for 2,2-difluoro-1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone is O=C(C(F)F)N1CCCC(c2ccn[nH]2)C1.
What is the InChIKey of 2,2-difluoro-1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone?
The InChIKey is CTCMNPABLHRBJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2N3O/c11-9(12)10(16)15-5-1-2-7(6-15)8-3-4-13-14-8/h3-4,7,9H,1-2,5-6H2,(H,13,14).
What are the key properties of 2,2-difluoro-1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone?
2,2-difluoro-1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone has a molecular weight of 229.23 g/mol, XLogP of 1.38, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 103514888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).