1-chloro-3-(1,3-diethylpyrazol-5-yl)-1,1-difluoropropan-2-ol

C10H15ClF2N2O — CID 112575301

IUPAC1-chloro-3-(1,3-diethylpyrazol-5-yl)-1,1-difluoropropan-2-ol
SMILESCCc1cc(CC(O)C(F)(F)Cl)n(CC)n1
InChIInChI=1S/C10H15ClF2N2O/c1-3-7-5-8(15(4-2)14-7)6-9(16)10(11,12)13/h5,9,16H,3-4,6H2,1-2H3
InChIKeyXKALMZNEQXPYLX-UHFFFAOYSA-N
MW252.69 g/mol
LogP2.20
Rot. Bonds5

About 1-chloro-3-(1,3-diethylpyrazol-5-yl)-1,1-difluoropropan-2-ol

1-chloro-3-(1,3-diethylpyrazol-5-yl)-1,1-difluoropropan-2-ol (PubChem CID 112575301) has the molecular formula C10H15ClF2N2O and a molecular weight of 252.69 g/mol. Its IUPAC name is 1-chloro-3-(1,3-diethylpyrazol-5-yl)-1,1-difluoropropan-2-ol.

Molecular Properties

Compound Name1-chloro-3-(1,3-diethylpyrazol-5-yl)-1,1-difluoropropan-2-ol
PubChem CID112575301
Molecular FormulaC10H15ClF2N2O
Molecular Weight252.69 g/mol
Exact Mass252.08
IUPAC Name1-chloro-3-(1,3-diethylpyrazol-5-yl)-1,1-difluoropropan-2-ol
SMILESCCc1cc(CC(O)C(F)(F)Cl)n(CC)n1
InChIInChI=1S/C10H15ClF2N2O/c1-3-7-5-8(15(4-2)14-7)6-9(16)10(11,12)13/h5,9,16H,3-4,6H2,1-2H3
InChIKeyXKALMZNEQXPYLX-UHFFFAOYSA-N
XLogP2.20
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.69
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-(1,3-diethylpyrazol-5-yl)-3-ethylpentane-2,3-diol
CID 103449476
1-(1,3-diethylpyrazol-5-yl)decan-2-ol
CID 115815685
1-(1,3-diethylpyrazol-5-yl)-N-ethyl-5,5,5-trifluoropentan-2-amine
CID 79953771
4-(1,3-diethylpyrazol-5-yl)-2,3-dimethylbutan-1-amine
CID 81013547
1-cyclobutyl-3-(1,3-diethylpyrazol-5-yl)propan-2-ol
CID 103170098
1-(3-chloro-4-methylthiophen-2-yl)-2-(1,3-diethylpyrazol-5-yl)ethanol
CID 103408103
5-[2-(chloromethyl)-3-(4-fluorophenyl)propyl]-1,3-diethylpyrazole
CID 66035478
4-[2-(1,3-diethylpyrazol-5-yl)-1-hydroxyethyl]benzonitrile
CID 115480834
tert-butyl 2-amino-3-(1,3-diethylpyrazol-5-yl)propanoate
CID 83226023
1-(3-aminophenyl)-2-(1,3-diethylpyrazol-5-yl)ethanol
CID 106695853
1-(1,3-diethylpyrazol-5-yl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-amine
CID 103475043
1-(2,4-dibromophenyl)-2-(1,3-diethylpyrazol-5-yl)ethanol
CID 107947608

Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-(1,3-diethylpyrazol-5-yl)-1,1-difluoropropan-2-ol?
The IUPAC name of 1-chloro-3-(1,3-diethylpyrazol-5-yl)-1,1-difluoropropan-2-ol (CID 112575301) is 1-chloro-3-(1,3-diethylpyrazol-5-yl)-1,1-difluoropropan-2-ol.
What is the SMILES notation for 1-chloro-3-(1,3-diethylpyrazol-5-yl)-1,1-difluoropropan-2-ol?
The canonical SMILES for 1-chloro-3-(1,3-diethylpyrazol-5-yl)-1,1-difluoropropan-2-ol is CCc1cc(CC(O)C(F)(F)Cl)n(CC)n1.
What is the InChIKey of 1-chloro-3-(1,3-diethylpyrazol-5-yl)-1,1-difluoropropan-2-ol?
The InChIKey is XKALMZNEQXPYLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClF2N2O/c1-3-7-5-8(15(4-2)14-7)6-9(16)10(11,12)13/h5,9,16H,3-4,6H2,1-2H3.
What are the key properties of 1-chloro-3-(1,3-diethylpyrazol-5-yl)-1,1-difluoropropan-2-ol?
1-chloro-3-(1,3-diethylpyrazol-5-yl)-1,1-difluoropropan-2-ol has a molecular weight of 252.69 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-(1,3-diethylpyrazol-5-yl)-1,1-difluoropropan-2-ol is sourced from PubChem (CID 112575301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).