1-(1-butan-2-ylpyrazol-3-yl)-3-(4-fluorophenyl)propan-2-ol

C16H21FN2O — CID 64783184

IUPAC1-(1-butan-2-ylpyrazol-3-yl)-3-(4-fluorophenyl)propan-2-ol
SMILESCCC(C)n1ccc(CC(O)Cc2ccc(F)cc2)n1
InChIInChI=1S/C16H21FN2O/c1-3-12(2)19-9-8-15(18-19)11-16(20)10-13-4-6-14(17)7-5-13/h4-9,12,16,20H,3,10-11H2,1-2H3
InChIKeyGRARFTIPHYGCFU-UHFFFAOYSA-N
MW276.36 g/mol
LogP3.14
Rot. Bonds6

About 1-(1-butan-2-ylpyrazol-3-yl)-3-(4-fluorophenyl)propan-2-ol

1-(1-butan-2-ylpyrazol-3-yl)-3-(4-fluorophenyl)propan-2-ol (PubChem CID 64783184) has the molecular formula C16H21FN2O and a molecular weight of 276.36 g/mol. Its IUPAC name is 1-(1-butan-2-ylpyrazol-3-yl)-3-(4-fluorophenyl)propan-2-ol.

Molecular Properties

Compound Name1-(1-butan-2-ylpyrazol-3-yl)-3-(4-fluorophenyl)propan-2-ol
PubChem CID64783184
Molecular FormulaC16H21FN2O
Molecular Weight276.36 g/mol
Exact Mass276.16
IUPAC Name1-(1-butan-2-ylpyrazol-3-yl)-3-(4-fluorophenyl)propan-2-ol
SMILESCCC(C)n1ccc(CC(O)Cc2ccc(F)cc2)n1
InChIInChI=1S/C16H21FN2O/c1-3-12(2)19-9-8-15(18-19)11-16(20)10-13-4-6-14(17)7-5-13/h4-9,12,16,20H,3,10-11H2,1-2H3
InChIKeyGRARFTIPHYGCFU-UHFFFAOYSA-N
XLogP3.14
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-fluorophenyl)-3-(1-propan-2-ylpyrazol-3-yl)propan-2-ol
CID 64772608
1-(1-butan-2-ylpyrazol-3-yl)-3-methylsulfanylpropan-2-ol
CID 64785469
1-(1-butan-2-ylpyrazol-3-yl)pent-4-en-2-ol
CID 116659983
1-(1-butan-2-ylpyrazol-3-yl)-3-ethylsulfanylpropan-2-ol
CID 65131163
2-(1-butan-2-ylpyrazol-3-yl)-1-(2,4,6-trifluorophenyl)ethanol
CID 115806450
2-(1-butan-2-ylpyrazol-3-yl)-1-(4-fluoro-2-methylphenyl)ethanol
CID 64785243
2-(1-butan-2-ylpyrazol-3-yl)-1-(5-fluoro-3-pyridinyl)ethanol
CID 105103311
2-[(1-butan-2-ylpyrazol-3-yl)methyl]-3-(4-chlorophenyl)propan-1-ol
CID 66059463
2-[(4-bromophenyl)methyl]-3-(1-butan-2-ylpyrazol-3-yl)propan-1-ol
CID 66060549
2-[(1-butan-2-ylpyrazol-3-yl)methyl]-3-(3-fluorophenyl)propan-1-ol
CID 66057604
1-(1-butan-2-ylpyrazol-3-yl)-3-(2,4-difluorophenyl)propan-2-amine
CID 64779610
2-(1-butan-2-ylpyrazol-3-yl)-1-(2-fluoro-5-methylphenyl)ethanol
CID 115806312

Frequently Asked Questions

What is the IUPAC name of 1-(1-butan-2-ylpyrazol-3-yl)-3-(4-fluorophenyl)propan-2-ol?
The IUPAC name of 1-(1-butan-2-ylpyrazol-3-yl)-3-(4-fluorophenyl)propan-2-ol (CID 64783184) is 1-(1-butan-2-ylpyrazol-3-yl)-3-(4-fluorophenyl)propan-2-ol.
What is the SMILES notation for 1-(1-butan-2-ylpyrazol-3-yl)-3-(4-fluorophenyl)propan-2-ol?
The canonical SMILES for 1-(1-butan-2-ylpyrazol-3-yl)-3-(4-fluorophenyl)propan-2-ol is CCC(C)n1ccc(CC(O)Cc2ccc(F)cc2)n1.
What is the InChIKey of 1-(1-butan-2-ylpyrazol-3-yl)-3-(4-fluorophenyl)propan-2-ol?
The InChIKey is GRARFTIPHYGCFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2O/c1-3-12(2)19-9-8-15(18-19)11-16(20)10-13-4-6-14(17)7-5-13/h4-9,12,16,20H,3,10-11H2,1-2H3.
What are the key properties of 1-(1-butan-2-ylpyrazol-3-yl)-3-(4-fluorophenyl)propan-2-ol?
1-(1-butan-2-ylpyrazol-3-yl)-3-(4-fluorophenyl)propan-2-ol has a molecular weight of 276.36 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-butan-2-ylpyrazol-3-yl)-3-(4-fluorophenyl)propan-2-ol is sourced from PubChem (CID 64783184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).