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

C12H14ClFN2O — CID 155943671

IUPAC[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]methanol;hydrochloride
SMILESCc1cc(C)n(-c2ccc(CO)cc2F)n1.Cl
InChIInChI=1S/C12H13FN2O.ClH/c1-8-5-9(2)15(14-8)12-4-3-10(7-16)6-11(12)13;/h3-6,16H,7H2,1-2H3;1H
InChIKeyFMNKZFBWDQKQNA-UHFFFAOYSA-N
MW256.71 g/mol
LogP2.54
Rot. Bonds2

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

[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]methanol;hydrochloride (PubChem CID 155943671) has the molecular formula C12H14ClFN2O and a molecular weight of 256.71 g/mol. Its IUPAC name is [4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]methanol;hydrochloride.

Molecular Properties

Compound Name[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]methanol;hydrochloride
PubChem CID155943671
Molecular FormulaC12H14ClFN2O
Molecular Weight256.71 g/mol
Exact Mass256.08
IUPAC Name[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]methanol;hydrochloride
SMILESCc1cc(C)n(-c2ccc(CO)cc2F)n1.Cl
InChIInChI=1S/C12H13FN2O.ClH/c1-8-5-9(2)15(14-8)12-4-3-10(7-16)6-11(12)13;/h3-6,16H,7H2,1-2H3;1H
InChIKeyFMNKZFBWDQKQNA-UHFFFAOYSA-N
XLogP2.54
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.71
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]methanol;hydrochloride?
The IUPAC name of [4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]methanol;hydrochloride (CID 155943671) is [4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]methanol;hydrochloride.
What is the SMILES notation for [4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]methanol;hydrochloride?
The canonical SMILES for [4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]methanol;hydrochloride is Cc1cc(C)n(-c2ccc(CO)cc2F)n1.Cl.
What is the InChIKey of [4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]methanol;hydrochloride?
The InChIKey is FMNKZFBWDQKQNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2O.ClH/c1-8-5-9(2)15(14-8)12-4-3-10(7-16)6-11(12)13;/h3-6,16H,7H2,1-2H3;1H.
What are the key properties of [4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]methanol;hydrochloride?
[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]methanol;hydrochloride has a molecular weight of 256.71 g/mol, XLogP of 2.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]methanol;hydrochloride is sourced from PubChem (CID 155943671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).