3-(4-fluorophenyl)-3-methyl-1-(1-methylpyrazol-3-yl)butan-2-ol

C15H19FN2O — CID 82870006

IUPAC3-(4-fluorophenyl)-3-methyl-1-(1-methylpyrazol-3-yl)butan-2-ol
SMILESCn1ccc(CC(O)C(C)(C)c2ccc(F)cc2)n1
InChIInChI=1S/C15H19FN2O/c1-15(2,11-4-6-12(16)7-5-11)14(19)10-13-8-9-18(3)17-13/h4-9,14,19H,10H2,1-3H3
InChIKeyXXKONJUFKRBGDO-UHFFFAOYSA-N
MW262.33 g/mol
LogP2.44
Rot. Bonds4

About 3-(4-fluorophenyl)-3-methyl-1-(1-methylpyrazol-3-yl)butan-2-ol

3-(4-fluorophenyl)-3-methyl-1-(1-methylpyrazol-3-yl)butan-2-ol (PubChem CID 82870006) has the molecular formula C15H19FN2O and a molecular weight of 262.33 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-3-methyl-1-(1-methylpyrazol-3-yl)butan-2-ol.

Molecular Properties

Compound Name3-(4-fluorophenyl)-3-methyl-1-(1-methylpyrazol-3-yl)butan-2-ol
PubChem CID82870006
Molecular FormulaC15H19FN2O
Molecular Weight262.33 g/mol
Exact Mass262.15
IUPAC Name3-(4-fluorophenyl)-3-methyl-1-(1-methylpyrazol-3-yl)butan-2-ol
SMILESCn1ccc(CC(O)C(C)(C)c2ccc(F)cc2)n1
InChIInChI=1S/C15H19FN2O/c1-15(2,11-4-6-12(16)7-5-11)14(19)10-13-8-9-18(3)17-13/h4-9,14,19H,10H2,1-3H3
InChIKeyXXKONJUFKRBGDO-UHFFFAOYSA-N
XLogP2.44
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-1-(1-methylpyrazol-3-yl)-3-pyrrolidin-1-ylbutan-2-ol
CID 82870128
1-(5-fluoro-2-pyridinyl)-2-(1-methylpyrazol-3-yl)ethanol
CID 82870351
3-(4-fluorophenyl)-3-methyl-1-(4-methylphenyl)butan-2-ol
CID 64769125
1-[4-fluoro-2-(trifluoromethyl)phenyl]-2-(1-methylpyrazol-3-yl)ethanol
CID 82869567
1-(4-bromophenyl)-3-(4-fluorophenyl)-3-methylbutan-2-ol
CID 64769134
1-(4-chlorophenyl)-3-(4-fluorophenyl)-3-methylbutan-2-ol
CID 64770114
3-(4-fluorophenyl)-3-methyl-1-(1,3-thiazol-2-yl)butan-2-ol
CID 79824785
N-ethyl-2-(4-fluorophenyl)-2-methyl-1-(1-methylpyrazol-3-yl)propan-1-amine
CID 103130885
1-(3-fluorophenyl)-2-(1-methylpyrazol-3-yl)ethanol
CID 82868986
2-fluoro-3-(1-methylpyrazol-3-yl)propan-1-amine
CID 112562653
2-(4-fluorophenyl)-2,6,6-trimethylheptan-3-ol
CID 64768744
1-(2-chloro-5-fluorophenyl)-3-(4-fluorophenyl)-3-methylbutan-2-ol
CID 102617981

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-3-methyl-1-(1-methylpyrazol-3-yl)butan-2-ol?
The IUPAC name of 3-(4-fluorophenyl)-3-methyl-1-(1-methylpyrazol-3-yl)butan-2-ol (CID 82870006) is 3-(4-fluorophenyl)-3-methyl-1-(1-methylpyrazol-3-yl)butan-2-ol.
What is the SMILES notation for 3-(4-fluorophenyl)-3-methyl-1-(1-methylpyrazol-3-yl)butan-2-ol?
The canonical SMILES for 3-(4-fluorophenyl)-3-methyl-1-(1-methylpyrazol-3-yl)butan-2-ol is Cn1ccc(CC(O)C(C)(C)c2ccc(F)cc2)n1.
What is the InChIKey of 3-(4-fluorophenyl)-3-methyl-1-(1-methylpyrazol-3-yl)butan-2-ol?
The InChIKey is XXKONJUFKRBGDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O/c1-15(2,11-4-6-12(16)7-5-11)14(19)10-13-8-9-18(3)17-13/h4-9,14,19H,10H2,1-3H3.
What are the key properties of 3-(4-fluorophenyl)-3-methyl-1-(1-methylpyrazol-3-yl)butan-2-ol?
3-(4-fluorophenyl)-3-methyl-1-(1-methylpyrazol-3-yl)butan-2-ol has a molecular weight of 262.33 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-3-methyl-1-(1-methylpyrazol-3-yl)butan-2-ol is sourced from PubChem (CID 82870006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).