[4-(4-chloro-3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]methanol

C12H12ClFN2O — CID 62129516

IUPAC[4-(4-chloro-3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]methanol
SMILESCc1nn(-c2ccc(CO)cc2F)c(C)c1Cl
InChIInChI=1S/C12H12ClFN2O/c1-7-12(13)8(2)16(15-7)11-4-3-9(6-17)5-10(11)14/h3-5,17H,6H2,1-2H3
InChIKeyOVOBZNIDBSNVBP-UHFFFAOYSA-N
MW254.69 g/mol
LogP2.77
Rot. Bonds2

About [4-(4-chloro-3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]methanol

[4-(4-chloro-3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]methanol (PubChem CID 62129516) has the molecular formula C12H12ClFN2O and a molecular weight of 254.69 g/mol. Its IUPAC name is [4-(4-chloro-3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]methanol.

Molecular Properties

Compound Name[4-(4-chloro-3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]methanol
PubChem CID62129516
Molecular FormulaC12H12ClFN2O
Molecular Weight254.69 g/mol
Exact Mass254.06
IUPAC Name[4-(4-chloro-3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]methanol
SMILESCc1nn(-c2ccc(CO)cc2F)c(C)c1Cl
InChIInChI=1S/C12H12ClFN2O/c1-7-12(13)8(2)16(15-7)11-4-3-9(6-17)5-10(11)14/h3-5,17H,6H2,1-2H3
InChIKeyOVOBZNIDBSNVBP-UHFFFAOYSA-N
XLogP2.77
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.69
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(4-chloro-3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]methanol?
The IUPAC name of [4-(4-chloro-3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]methanol (CID 62129516) is [4-(4-chloro-3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]methanol.
What is the SMILES notation for [4-(4-chloro-3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]methanol?
The canonical SMILES for [4-(4-chloro-3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]methanol is Cc1nn(-c2ccc(CO)cc2F)c(C)c1Cl.
What is the InChIKey of [4-(4-chloro-3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]methanol?
The InChIKey is OVOBZNIDBSNVBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClFN2O/c1-7-12(13)8(2)16(15-7)11-4-3-9(6-17)5-10(11)14/h3-5,17H,6H2,1-2H3.
What are the key properties of [4-(4-chloro-3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]methanol?
[4-(4-chloro-3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]methanol has a molecular weight of 254.69 g/mol, XLogP of 2.77, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-chloro-3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]methanol is sourced from PubChem (CID 62129516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).