4-[4-(2-chloro-5-methoxyphenyl)-5-methyl-1H-pyrazol-3-yl]phenol

C17H15ClN2O2 — CID 135814699

IUPAC4-[4-(2-chloro-5-methoxyphenyl)-5-methyl-1H-pyrazol-3-yl]phenol
SMILESCOc1ccc(Cl)c(-c2c(-c3ccc(O)cc3)n[nH]c2C)c1
InChIInChI=1S/C17H15ClN2O2/c1-10-16(14-9-13(22-2)7-8-15(14)18)17(20-19-10)11-3-5-12(21)6-4-11/h3-9,21H,1-2H3,(H,19,20)
InChIKeyGABYYEVJRXFIRC-UHFFFAOYSA-N
MW314.77 g/mol
LogP4.42
Rot. Bonds3

About 4-[4-(2-chloro-5-methoxyphenyl)-5-methyl-1H-pyrazol-3-yl]phenol

4-[4-(2-chloro-5-methoxyphenyl)-5-methyl-1H-pyrazol-3-yl]phenol (PubChem CID 135814699) has the molecular formula C17H15ClN2O2 and a molecular weight of 314.77 g/mol. Its IUPAC name is 4-[4-(2-chloro-5-methoxyphenyl)-5-methyl-1H-pyrazol-3-yl]phenol.

Molecular Properties

Compound Name4-[4-(2-chloro-5-methoxyphenyl)-5-methyl-1H-pyrazol-3-yl]phenol
PubChem CID135814699
Molecular FormulaC17H15ClN2O2
Molecular Weight314.77 g/mol
Exact Mass314.08
IUPAC Name4-[4-(2-chloro-5-methoxyphenyl)-5-methyl-1H-pyrazol-3-yl]phenol
SMILESCOc1ccc(Cl)c(-c2c(-c3ccc(O)cc3)n[nH]c2C)c1
InChIInChI=1S/C17H15ClN2O2/c1-10-16(14-9-13(22-2)7-8-15(14)18)17(20-19-10)11-3-5-12(21)6-4-11/h3-9,21H,1-2H3,(H,19,20)
InChIKeyGABYYEVJRXFIRC-UHFFFAOYSA-N
XLogP4.42
TPSA58.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.77
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5-methyl-1H-pyrazol-3-yl]-5-methoxyphenol
CID 984001
5-methoxy-2-[5-methyl-4-(4-phenylphenoxy)-1H-pyrazol-3-yl]phenol
CID 1325225
2-[4-(4-methoxyphenyl)-5-methyl-1H-pyrazol-3-yl]-5-phenylmethoxyphenol
CID 2022938
4-[4-(3,4-dimethoxyphenyl)-5-methyl-1H-pyrazol-3-yl]benzene-1,3-diol
CID 888681
2-[4-(4-chlorophenyl)-5-(trifluoromethyl)-1H-pyrazol-3-yl]-5-methoxyphenol
CID 1416432
5-(2-chloro-5-methoxyphenyl)-1H-pyrazol-3-amine
CID 117321002
[2-(3,4-dichlorophenyl)-4-methoxyphenyl]methanamine
CID 112749101
4-chloro-6-(5-methyl-4-phenyl-1H-pyrazol-3-yl)benzene-1,3-diol;methoxymethane
CID 158450650
4-(2-chloro-5-methoxyphenyl)pyridine
CID 46316938
3-chloro-2,5,6-tris(4-methoxyphenyl)pyridine
CID 122233245
4-[5-(2,5-dichlorophenyl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]phenol
CID 142961507
4-(4-methoxy-2-methylphenyl)-3,5-dimethyl-1H-pyrazole
CID 50984185

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-chloro-5-methoxyphenyl)-5-methyl-1H-pyrazol-3-yl]phenol?
The IUPAC name of 4-[4-(2-chloro-5-methoxyphenyl)-5-methyl-1H-pyrazol-3-yl]phenol (CID 135814699) is 4-[4-(2-chloro-5-methoxyphenyl)-5-methyl-1H-pyrazol-3-yl]phenol.
What is the SMILES notation for 4-[4-(2-chloro-5-methoxyphenyl)-5-methyl-1H-pyrazol-3-yl]phenol?
The canonical SMILES for 4-[4-(2-chloro-5-methoxyphenyl)-5-methyl-1H-pyrazol-3-yl]phenol is COc1ccc(Cl)c(-c2c(-c3ccc(O)cc3)n[nH]c2C)c1.
What is the InChIKey of 4-[4-(2-chloro-5-methoxyphenyl)-5-methyl-1H-pyrazol-3-yl]phenol?
The InChIKey is GABYYEVJRXFIRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O2/c1-10-16(14-9-13(22-2)7-8-15(14)18)17(20-19-10)11-3-5-12(21)6-4-11/h3-9,21H,1-2H3,(H,19,20).
What are the key properties of 4-[4-(2-chloro-5-methoxyphenyl)-5-methyl-1H-pyrazol-3-yl]phenol?
4-[4-(2-chloro-5-methoxyphenyl)-5-methyl-1H-pyrazol-3-yl]phenol has a molecular weight of 314.77 g/mol, XLogP of 4.42, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-chloro-5-methoxyphenyl)-5-methyl-1H-pyrazol-3-yl]phenol is sourced from PubChem (CID 135814699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).