(3-fluorophenyl)-(1,3,5-trimethylpyrazol-4-yl)methanol

C13H15FN2O — CID 105078402

IUPAC(3-fluorophenyl)-(1,3,5-trimethylpyrazol-4-yl)methanol
SMILESCc1nn(C)c(C)c1C(O)c1cccc(F)c1
InChIInChI=1S/C13H15FN2O/c1-8-12(9(2)16(3)15-8)13(17)10-5-4-6-11(14)7-10/h4-7,13,17H,1-3H3
InChIKeySFXHAGOJCVYVCZ-UHFFFAOYSA-N
MW234.27 g/mol
LogP2.26
Rot. Bonds2

About (3-fluorophenyl)-(1,3,5-trimethylpyrazol-4-yl)methanol

(3-fluorophenyl)-(1,3,5-trimethylpyrazol-4-yl)methanol (PubChem CID 105078402) has the molecular formula C13H15FN2O and a molecular weight of 234.27 g/mol. Its IUPAC name is (3-fluorophenyl)-(1,3,5-trimethylpyrazol-4-yl)methanol.

Molecular Properties

Compound Name(3-fluorophenyl)-(1,3,5-trimethylpyrazol-4-yl)methanol
PubChem CID105078402
Molecular FormulaC13H15FN2O
Molecular Weight234.27 g/mol
Exact Mass234.12
IUPAC Name(3-fluorophenyl)-(1,3,5-trimethylpyrazol-4-yl)methanol
SMILESCc1nn(C)c(C)c1C(O)c1cccc(F)c1
InChIInChI=1S/C13H15FN2O/c1-8-12(9(2)16(3)15-8)13(17)10-5-4-6-11(14)7-10/h4-7,13,17H,1-3H3
InChIKeySFXHAGOJCVYVCZ-UHFFFAOYSA-N
XLogP2.26
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.27
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-bromo-2-fluorophenyl)-(1,3,5-trimethylpyrazol-4-yl)methanol
CID 106648347
(2-fluoro-3-methoxyphenyl)-(1,3,5-trimethylpyrazol-4-yl)methanol
CID 105121006
2-(3-fluorophenyl)-N-[(1S)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]acetamide
CID 95588665
(4-fluoro-3,5-dimethylphenyl)-(3-fluorophenyl)methanol
CID 65296831
(3-fluorophenyl)-(2-methyl-4-pyridinyl)methanol
CID 106756088
(3-fluorophenyl)-(6-methyl-2-pyridinyl)methanol
CID 63554167
N-[2-(3-fluorophenyl)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]propan-1-amine
CID 105095880
(2-fluoro-3-methylphenyl)-(3-fluorophenyl)methanol
CID 114978614
(4R,5S)-4-[[(2R)-2-(3-fluorophenyl)-2-hydroxyethyl]amino]-1-methyl-5-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-2-one
CID 129338216
(2-chloro-6-fluorophenyl)-(3-fluorophenyl)methanol
CID 63896004
2-(4,5-dimethylimidazol-1-yl)-2-(3-fluorophenyl)ethanamine
CID 55064925
N-[1-(3-fluorophenyl)ethyl]-1,5-dimethylpyrazol-3-amine
CID 113287971

Frequently Asked Questions

What is the IUPAC name of (3-fluorophenyl)-(1,3,5-trimethylpyrazol-4-yl)methanol?
The IUPAC name of (3-fluorophenyl)-(1,3,5-trimethylpyrazol-4-yl)methanol (CID 105078402) is (3-fluorophenyl)-(1,3,5-trimethylpyrazol-4-yl)methanol.
What is the SMILES notation for (3-fluorophenyl)-(1,3,5-trimethylpyrazol-4-yl)methanol?
The canonical SMILES for (3-fluorophenyl)-(1,3,5-trimethylpyrazol-4-yl)methanol is Cc1nn(C)c(C)c1C(O)c1cccc(F)c1.
What is the InChIKey of (3-fluorophenyl)-(1,3,5-trimethylpyrazol-4-yl)methanol?
The InChIKey is SFXHAGOJCVYVCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O/c1-8-12(9(2)16(3)15-8)13(17)10-5-4-6-11(14)7-10/h4-7,13,17H,1-3H3.
What are the key properties of (3-fluorophenyl)-(1,3,5-trimethylpyrazol-4-yl)methanol?
(3-fluorophenyl)-(1,3,5-trimethylpyrazol-4-yl)methanol has a molecular weight of 234.27 g/mol, XLogP of 2.26, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluorophenyl)-(1,3,5-trimethylpyrazol-4-yl)methanol is sourced from PubChem (CID 105078402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).