1-[1-[(4-fluoro-2-methylphenyl)methyl]-3,5-dimethylpyrazol-4-yl]propan-1-ol

C16H21FN2O — CID 114349039

IUPAC1-[1-[(4-fluoro-2-methylphenyl)methyl]-3,5-dimethylpyrazol-4-yl]propan-1-ol
SMILESCCC(O)c1c(C)nn(Cc2ccc(F)cc2C)c1C
InChIInChI=1S/C16H21FN2O/c1-5-15(20)16-11(3)18-19(12(16)4)9-13-6-7-14(17)8-10(13)2/h6-8,15,20H,5,9H2,1-4H3
InChIKeyQOPYEOGSIDHKIB-UHFFFAOYSA-N
MW276.35 g/mol
LogP3.44
Rot. Bonds4

About 1-[1-[(4-fluoro-2-methylphenyl)methyl]-3,5-dimethylpyrazol-4-yl]propan-1-ol

1-[1-[(4-fluoro-2-methylphenyl)methyl]-3,5-dimethylpyrazol-4-yl]propan-1-ol (PubChem CID 114349039) has the molecular formula C16H21FN2O and a molecular weight of 276.35 g/mol. Its IUPAC name is 1-[1-[(4-fluoro-2-methylphenyl)methyl]-3,5-dimethylpyrazol-4-yl]propan-1-ol.

Molecular Properties

Compound Name1-[1-[(4-fluoro-2-methylphenyl)methyl]-3,5-dimethylpyrazol-4-yl]propan-1-ol
PubChem CID114349039
Molecular FormulaC16H21FN2O
Molecular Weight276.35 g/mol
Exact Mass276.16
IUPAC Name1-[1-[(4-fluoro-2-methylphenyl)methyl]-3,5-dimethylpyrazol-4-yl]propan-1-ol
SMILESCCC(O)c1c(C)nn(Cc2ccc(F)cc2C)c1C
InChIInChI=1S/C16H21FN2O/c1-5-15(20)16-11(3)18-19(12(16)4)9-13-6-7-14(17)8-10(13)2/h6-8,15,20H,5,9H2,1-4H3
InChIKeyQOPYEOGSIDHKIB-UHFFFAOYSA-N
XLogP3.44
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.35
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-[(4-bromo-2-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]propan-1-ol
CID 62730540
1-[1-[(3-bromo-5-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]propan-1-ol
CID 79709265
1-[1-[(2,3-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]propan-1-ol
CID 107309902
1-[3,5-dimethyl-1-[(1-methylpyrazol-3-yl)methyl]pyrazol-4-yl]propan-1-ol
CID 82871315
1-[1-[(2,5-difluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-N-ethylethanamine
CID 62731555
2-[(4-fluoro-2-methylphenyl)methyl]-5-methylpyrazol-3-amine
CID 62136321
1-(3-ethyl-1-methylpyrazol-5-yl)-2-(4-fluoro-2-methylphenyl)ethanol
CID 105131290
1-[3,5-dimethyl-1-(2-methylbutyl)pyrazol-4-yl]propan-1-ol
CID 62730904
1-[3,5-dimethyl-1-(2-phenylethyl)pyrazol-4-yl]propan-1-ol
CID 62732173
1-[1-[(2,4-difluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]butan-2-amine
CID 62729526
1-[(5-chloro-2-fluorophenyl)methyl]-4-(1-chloropropyl)-3,5-dimethylpyrazole
CID 103049913
(1S)-1-(4-fluoro-2-methylphenyl)propan-1-ol
CID 79002158

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(4-fluoro-2-methylphenyl)methyl]-3,5-dimethylpyrazol-4-yl]propan-1-ol?
The IUPAC name of 1-[1-[(4-fluoro-2-methylphenyl)methyl]-3,5-dimethylpyrazol-4-yl]propan-1-ol (CID 114349039) is 1-[1-[(4-fluoro-2-methylphenyl)methyl]-3,5-dimethylpyrazol-4-yl]propan-1-ol.
What is the SMILES notation for 1-[1-[(4-fluoro-2-methylphenyl)methyl]-3,5-dimethylpyrazol-4-yl]propan-1-ol?
The canonical SMILES for 1-[1-[(4-fluoro-2-methylphenyl)methyl]-3,5-dimethylpyrazol-4-yl]propan-1-ol is CCC(O)c1c(C)nn(Cc2ccc(F)cc2C)c1C.
What is the InChIKey of 1-[1-[(4-fluoro-2-methylphenyl)methyl]-3,5-dimethylpyrazol-4-yl]propan-1-ol?
The InChIKey is QOPYEOGSIDHKIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2O/c1-5-15(20)16-11(3)18-19(12(16)4)9-13-6-7-14(17)8-10(13)2/h6-8,15,20H,5,9H2,1-4H3.
What are the key properties of 1-[1-[(4-fluoro-2-methylphenyl)methyl]-3,5-dimethylpyrazol-4-yl]propan-1-ol?
1-[1-[(4-fluoro-2-methylphenyl)methyl]-3,5-dimethylpyrazol-4-yl]propan-1-ol has a molecular weight of 276.35 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(4-fluoro-2-methylphenyl)methyl]-3,5-dimethylpyrazol-4-yl]propan-1-ol is sourced from PubChem (CID 114349039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).