[5-chloro-1-(2-fluorophenyl)-3-propan-2-ylpyrazol-4-yl]methanol

C13H14ClFN2O — CID 43333643

IUPAC[5-chloro-1-(2-fluorophenyl)-3-propan-2-ylpyrazol-4-yl]methanol
SMILESCC(C)c1nn(-c2ccccc2F)c(Cl)c1CO
InChIInChI=1S/C13H14ClFN2O/c1-8(2)12-9(7-18)13(14)17(16-12)11-6-4-3-5-10(11)15/h3-6,8,18H,7H2,1-2H3
InChIKeyAXNDYDAWNLJUPM-UHFFFAOYSA-N
MW268.72 g/mol
LogP3.28
Rot. Bonds3

About [5-chloro-1-(2-fluorophenyl)-3-propan-2-ylpyrazol-4-yl]methanol

[5-chloro-1-(2-fluorophenyl)-3-propan-2-ylpyrazol-4-yl]methanol (PubChem CID 43333643) has the molecular formula C13H14ClFN2O and a molecular weight of 268.72 g/mol. Its IUPAC name is [5-chloro-1-(2-fluorophenyl)-3-propan-2-ylpyrazol-4-yl]methanol.

Molecular Properties

Compound Name[5-chloro-1-(2-fluorophenyl)-3-propan-2-ylpyrazol-4-yl]methanol
PubChem CID43333643
Molecular FormulaC13H14ClFN2O
Molecular Weight268.72 g/mol
Exact Mass268.08
IUPAC Name[5-chloro-1-(2-fluorophenyl)-3-propan-2-ylpyrazol-4-yl]methanol
SMILESCC(C)c1nn(-c2ccccc2F)c(Cl)c1CO
InChIInChI=1S/C13H14ClFN2O/c1-8(2)12-9(7-18)13(14)17(16-12)11-6-4-3-5-10(11)15/h3-6,8,18H,7H2,1-2H3
InChIKeyAXNDYDAWNLJUPM-UHFFFAOYSA-N
XLogP3.28
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.72
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[5-chloro-1-(2-chlorophenyl)-3-(difluoromethyl)pyrazol-4-yl]methanol
CID 62892945
[1-(4-bromophenyl)-5-chloro-3-propan-2-ylpyrazol-4-yl]methanol
CID 43333647
[5-chloro-3-propan-2-yl-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]methanol
CID 81254769
5-chloro-4-(chloromethyl)-1-(2,4-difluorophenyl)-3-propan-2-ylpyrazole
CID 43156565
[5-chloro-1-(3-methylphenyl)-3-propan-2-ylpyrazol-4-yl]methanol
CID 43333662
5-chloro-4-(chloromethyl)-1-(2-fluorophenyl)-3-methylpyrazole
CID 43156592
[5-methoxy-1-(2-methoxyphenyl)-3-propan-2-ylpyrazol-4-yl]methanol
CID 117123466
(5-methoxy-1-phenyl-3-propan-2-ylpyrazol-4-yl)methanol
CID 117123429
3-[(5-chloro-1-phenyl-3-propan-2-ylpyrazol-4-yl)methylamino]propan-1-ol
CID 110906395
1-(2-fluorophenyl)-3-propan-2-yl-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole
CID 3932177
1-[(5-chloro-1-phenyl-3-propan-2-ylpyrazol-4-yl)methylamino]propan-2-ol
CID 110887880
5-chloro-1-(2-chlorophenyl)-3-propan-2-ylpyrazole-4-carboxylic acid
CID 43381542

Frequently Asked Questions

What is the IUPAC name of [5-chloro-1-(2-fluorophenyl)-3-propan-2-ylpyrazol-4-yl]methanol?
The IUPAC name of [5-chloro-1-(2-fluorophenyl)-3-propan-2-ylpyrazol-4-yl]methanol (CID 43333643) is [5-chloro-1-(2-fluorophenyl)-3-propan-2-ylpyrazol-4-yl]methanol.
What is the SMILES notation for [5-chloro-1-(2-fluorophenyl)-3-propan-2-ylpyrazol-4-yl]methanol?
The canonical SMILES for [5-chloro-1-(2-fluorophenyl)-3-propan-2-ylpyrazol-4-yl]methanol is CC(C)c1nn(-c2ccccc2F)c(Cl)c1CO.
What is the InChIKey of [5-chloro-1-(2-fluorophenyl)-3-propan-2-ylpyrazol-4-yl]methanol?
The InChIKey is AXNDYDAWNLJUPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClFN2O/c1-8(2)12-9(7-18)13(14)17(16-12)11-6-4-3-5-10(11)15/h3-6,8,18H,7H2,1-2H3.
What are the key properties of [5-chloro-1-(2-fluorophenyl)-3-propan-2-ylpyrazol-4-yl]methanol?
[5-chloro-1-(2-fluorophenyl)-3-propan-2-ylpyrazol-4-yl]methanol has a molecular weight of 268.72 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-1-(2-fluorophenyl)-3-propan-2-ylpyrazol-4-yl]methanol is sourced from PubChem (CID 43333643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).