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

C13H19F2N3O — CID 74239325

IUPAC1-(4,4-difluoropiperidin-1-yl)-3-(4,5-dimethyl-1H-pyrazol-3-yl)propan-1-one
SMILESCc1[nH]nc(CCC(=O)N2CCC(F)(F)CC2)c1C
InChIInChI=1S/C13H19F2N3O/c1-9-10(2)16-17-11(9)3-4-12(19)18-7-5-13(14,15)6-8-18/h3-8H2,1-2H3,(H,16,17)
InChIKeyGZCVKGILMHYUIR-UHFFFAOYSA-N
MW271.31 g/mol
LogP2.22
Rot. Bonds3

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

1-(4,4-difluoropiperidin-1-yl)-3-(4,5-dimethyl-1H-pyrazol-3-yl)propan-1-one (PubChem CID 74239325) has the molecular formula C13H19F2N3O and a molecular weight of 271.31 g/mol. Its IUPAC name is 1-(4,4-difluoropiperidin-1-yl)-3-(4,5-dimethyl-1H-pyrazol-3-yl)propan-1-one.

Molecular Properties

Compound Name1-(4,4-difluoropiperidin-1-yl)-3-(4,5-dimethyl-1H-pyrazol-3-yl)propan-1-one
PubChem CID74239325
Molecular FormulaC13H19F2N3O
Molecular Weight271.31 g/mol
Exact Mass271.15
IUPAC Name1-(4,4-difluoropiperidin-1-yl)-3-(4,5-dimethyl-1H-pyrazol-3-yl)propan-1-one
SMILESCc1[nH]nc(CCC(=O)N2CCC(F)(F)CC2)c1C
InChIInChI=1S/C13H19F2N3O/c1-9-10(2)16-17-11(9)3-4-12(19)18-7-5-13(14,15)6-8-18/h3-8H2,1-2H3,(H,16,17)
InChIKeyGZCVKGILMHYUIR-UHFFFAOYSA-N
XLogP2.22
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.31
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-cycloheptyl-3-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]propanamide
CID 2392988
N-[(1-cyclohexylpyrrolidin-3-yl)methyl]-3-(4,5-dimethyl-1H-pyrazol-3-yl)propanamide
CID 56707907
N-[(1-cyclopentylpiperidin-3-yl)methyl]-3-(4,5-dimethyl-1H-pyrazol-3-yl)propanamide
CID 56714649
N-[(1-cyclopentylpiperidin-3-yl)methyl]-3-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide
CID 56714725
N-tert-butyl-3-[3-(trifluoromethyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-5-yl]propanamide
CID 72042931
6-(3,5-dimethyl-1H-pyrazol-4-yl)piperidin-2-one
CID 112488695
7-(2,2-dimethylpropyl)-2-[3-(4,5-dimethyl-1H-pyrazol-3-yl)propanoyl]-2,7-diazaspiro[4.5]decane
CID 56912204
2-(Cyclopropylmethyl)-9-[3-(4,5-dimethyl-1H-pyrazol-3-YL)propanoyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 72877405
2-[3-(4,5-Dimethyl-1H-pyrazol-3-YL)propanoyl]-7-ethyl-2,7-diazaspiro[4.5]decan-6-one
CID 72926411
4-(3-isopropyl-1H-pyrazol-5-yl)-1-(3,3,3-trifluoropropanoyl)piperidine
CID 56718824
1-({1-[3-(4,5-dimethyl-1H-pyrazol-3-yl)propanoyl]-4-piperidinyl}methyl)-2-pyrrolidinone
CID 70767195
3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-(2-ethyl-4-methylpyrrolidin-1-yl)-2-methylpropan-1-one
CID 71866632

Frequently Asked Questions

What is the IUPAC name of 1-(4,4-difluoropiperidin-1-yl)-3-(4,5-dimethyl-1H-pyrazol-3-yl)propan-1-one?
The IUPAC name of 1-(4,4-difluoropiperidin-1-yl)-3-(4,5-dimethyl-1H-pyrazol-3-yl)propan-1-one (CID 74239325) is 1-(4,4-difluoropiperidin-1-yl)-3-(4,5-dimethyl-1H-pyrazol-3-yl)propan-1-one.
What is the SMILES notation for 1-(4,4-difluoropiperidin-1-yl)-3-(4,5-dimethyl-1H-pyrazol-3-yl)propan-1-one?
The canonical SMILES for 1-(4,4-difluoropiperidin-1-yl)-3-(4,5-dimethyl-1H-pyrazol-3-yl)propan-1-one is Cc1[nH]nc(CCC(=O)N2CCC(F)(F)CC2)c1C.
What is the InChIKey of 1-(4,4-difluoropiperidin-1-yl)-3-(4,5-dimethyl-1H-pyrazol-3-yl)propan-1-one?
The InChIKey is GZCVKGILMHYUIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F2N3O/c1-9-10(2)16-17-11(9)3-4-12(19)18-7-5-13(14,15)6-8-18/h3-8H2,1-2H3,(H,16,17).
What are the key properties of 1-(4,4-difluoropiperidin-1-yl)-3-(4,5-dimethyl-1H-pyrazol-3-yl)propan-1-one?
1-(4,4-difluoropiperidin-1-yl)-3-(4,5-dimethyl-1H-pyrazol-3-yl)propan-1-one has a molecular weight of 271.31 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-difluoropiperidin-1-yl)-3-(4,5-dimethyl-1H-pyrazol-3-yl)propan-1-one is sourced from PubChem (CID 74239325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).