1-[4-(2-chloro-6-fluorophenyl)-1,3-dimethylpyrazol-5-yl]-2-methylpropan-1-ol

C15H18ClFN2O — CID 78425895

IUPAC1-[4-(2-chloro-6-fluorophenyl)-1,3-dimethylpyrazol-5-yl]-2-methylpropan-1-ol
SMILESCc1nn(C)c(C(O)C(C)C)c1-c1c(F)cccc1Cl
InChIInChI=1S/C15H18ClFN2O/c1-8(2)15(20)14-12(9(3)18-19(14)4)13-10(16)6-5-7-11(13)17/h5-8,15,20H,1-4H3
InChIKeyOVBAZYDQUYBAKO-UHFFFAOYSA-N
MW296.77 g/mol
LogP3.88
Rot. Bonds3

About 1-[4-(2-chloro-6-fluorophenyl)-1,3-dimethylpyrazol-5-yl]-2-methylpropan-1-ol

1-[4-(2-chloro-6-fluorophenyl)-1,3-dimethylpyrazol-5-yl]-2-methylpropan-1-ol (PubChem CID 78425895) has the molecular formula C15H18ClFN2O and a molecular weight of 296.77 g/mol. Its IUPAC name is 1-[4-(2-chloro-6-fluorophenyl)-1,3-dimethylpyrazol-5-yl]-2-methylpropan-1-ol.

Molecular Properties

Compound Name1-[4-(2-chloro-6-fluorophenyl)-1,3-dimethylpyrazol-5-yl]-2-methylpropan-1-ol
PubChem CID78425895
Molecular FormulaC15H18ClFN2O
Molecular Weight296.77 g/mol
Exact Mass296.11
IUPAC Name1-[4-(2-chloro-6-fluorophenyl)-1,3-dimethylpyrazol-5-yl]-2-methylpropan-1-ol
SMILESCc1nn(C)c(C(O)C(C)C)c1-c1c(F)cccc1Cl
InChIInChI=1S/C15H18ClFN2O/c1-8(2)15(20)14-12(9(3)18-19(14)4)13-10(16)6-5-7-11(13)17/h5-8,15,20H,1-4H3
InChIKeyOVBAZYDQUYBAKO-UHFFFAOYSA-N
XLogP3.88
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.77
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-chloro-6-fluorophenyl)-1,3-dimethylpyrazol-5-yl]-2-methylpropan-1-ol?
The IUPAC name of 1-[4-(2-chloro-6-fluorophenyl)-1,3-dimethylpyrazol-5-yl]-2-methylpropan-1-ol (CID 78425895) is 1-[4-(2-chloro-6-fluorophenyl)-1,3-dimethylpyrazol-5-yl]-2-methylpropan-1-ol.
What is the SMILES notation for 1-[4-(2-chloro-6-fluorophenyl)-1,3-dimethylpyrazol-5-yl]-2-methylpropan-1-ol?
The canonical SMILES for 1-[4-(2-chloro-6-fluorophenyl)-1,3-dimethylpyrazol-5-yl]-2-methylpropan-1-ol is Cc1nn(C)c(C(O)C(C)C)c1-c1c(F)cccc1Cl.
What is the InChIKey of 1-[4-(2-chloro-6-fluorophenyl)-1,3-dimethylpyrazol-5-yl]-2-methylpropan-1-ol?
The InChIKey is OVBAZYDQUYBAKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClFN2O/c1-8(2)15(20)14-12(9(3)18-19(14)4)13-10(16)6-5-7-11(13)17/h5-8,15,20H,1-4H3.
What are the key properties of 1-[4-(2-chloro-6-fluorophenyl)-1,3-dimethylpyrazol-5-yl]-2-methylpropan-1-ol?
1-[4-(2-chloro-6-fluorophenyl)-1,3-dimethylpyrazol-5-yl]-2-methylpropan-1-ol has a molecular weight of 296.77 g/mol, XLogP of 3.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-chloro-6-fluorophenyl)-1,3-dimethylpyrazol-5-yl]-2-methylpropan-1-ol is sourced from PubChem (CID 78425895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).