2-[1-(4-chlorophenyl)-5-methylpyrazol-3-yl]-4,5-dimethylphenol

C18H17ClN2O — CID 135465508

IUPAC2-[1-(4-chlorophenyl)-5-methylpyrazol-3-yl]-4,5-dimethylphenol
SMILESCc1cc(O)c(-c2cc(C)n(-c3ccc(Cl)cc3)n2)cc1C
InChIInChI=1S/C18H17ClN2O/c1-11-8-16(18(22)9-12(11)2)17-10-13(3)21(20-17)15-6-4-14(19)5-7-15/h4-10,22H,1-3H3
InChIKeyLHZXKJQNYWPFGN-UHFFFAOYSA-N
MW312.80 g/mol
LogP4.82
Rot. Bonds2

About 2-[1-(4-chlorophenyl)-5-methylpyrazol-3-yl]-4,5-dimethylphenol

2-[1-(4-chlorophenyl)-5-methylpyrazol-3-yl]-4,5-dimethylphenol (PubChem CID 135465508) has the molecular formula C18H17ClN2O and a molecular weight of 312.80 g/mol. Its IUPAC name is 2-[1-(4-chlorophenyl)-5-methylpyrazol-3-yl]-4,5-dimethylphenol.

Molecular Properties

Compound Name2-[1-(4-chlorophenyl)-5-methylpyrazol-3-yl]-4,5-dimethylphenol
PubChem CID135465508
Molecular FormulaC18H17ClN2O
Molecular Weight312.80 g/mol
Exact Mass312.10
IUPAC Name2-[1-(4-chlorophenyl)-5-methylpyrazol-3-yl]-4,5-dimethylphenol
SMILESCc1cc(O)c(-c2cc(C)n(-c3ccc(Cl)cc3)n2)cc1C
InChIInChI=1S/C18H17ClN2O/c1-11-8-16(18(22)9-12(11)2)17-10-13(3)21(20-17)15-6-4-14(19)5-7-15/h4-10,22H,1-3H3
InChIKeyLHZXKJQNYWPFGN-UHFFFAOYSA-N
XLogP4.82
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.80
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-chlorophenyl)-5-methylpyrazol-3-yl]-4,5-dimethylphenol?
The IUPAC name of 2-[1-(4-chlorophenyl)-5-methylpyrazol-3-yl]-4,5-dimethylphenol (CID 135465508) is 2-[1-(4-chlorophenyl)-5-methylpyrazol-3-yl]-4,5-dimethylphenol.
What is the SMILES notation for 2-[1-(4-chlorophenyl)-5-methylpyrazol-3-yl]-4,5-dimethylphenol?
The canonical SMILES for 2-[1-(4-chlorophenyl)-5-methylpyrazol-3-yl]-4,5-dimethylphenol is Cc1cc(O)c(-c2cc(C)n(-c3ccc(Cl)cc3)n2)cc1C.
What is the InChIKey of 2-[1-(4-chlorophenyl)-5-methylpyrazol-3-yl]-4,5-dimethylphenol?
The InChIKey is LHZXKJQNYWPFGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O/c1-11-8-16(18(22)9-12(11)2)17-10-13(3)21(20-17)15-6-4-14(19)5-7-15/h4-10,22H,1-3H3.
What are the key properties of 2-[1-(4-chlorophenyl)-5-methylpyrazol-3-yl]-4,5-dimethylphenol?
2-[1-(4-chlorophenyl)-5-methylpyrazol-3-yl]-4,5-dimethylphenol has a molecular weight of 312.80 g/mol, XLogP of 4.82, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-chlorophenyl)-5-methylpyrazol-3-yl]-4,5-dimethylphenol is sourced from PubChem (CID 135465508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).