2-[4-(2-chlorophenyl)-5-methyl-1H-pyrazol-3-yl]-4-ethyl-5-methoxyphenol

C19H19ClN2O2 — CID 829800

IUPAC2-[4-(2-chlorophenyl)-5-methyl-1H-pyrazol-3-yl]-4-ethyl-5-methoxyphenol
SMILESCCc1cc(-c2n[nH]c(C)c2-c2ccccc2Cl)c(O)cc1OC
InChIInChI=1S/C19H19ClN2O2/c1-4-12-9-14(16(23)10-17(12)24-3)19-18(11(2)21-22-19)13-7-5-6-8-15(13)20/h5-10,23H,4H2,1-3H3,(H,21,22)
InChIKeyLIMUREPZIPKNLD-UHFFFAOYSA-N
MW342.83 g/mol
LogP4.98
Rot. Bonds4

About 2-[4-(2-chlorophenyl)-5-methyl-1H-pyrazol-3-yl]-4-ethyl-5-methoxyphenol

2-[4-(2-chlorophenyl)-5-methyl-1H-pyrazol-3-yl]-4-ethyl-5-methoxyphenol (PubChem CID 829800) has the molecular formula C19H19ClN2O2 and a molecular weight of 342.83 g/mol. Its IUPAC name is 2-[4-(2-chlorophenyl)-5-methyl-1H-pyrazol-3-yl]-4-ethyl-5-methoxyphenol.

Molecular Properties

Compound Name2-[4-(2-chlorophenyl)-5-methyl-1H-pyrazol-3-yl]-4-ethyl-5-methoxyphenol
PubChem CID829800
Molecular FormulaC19H19ClN2O2
Molecular Weight342.83 g/mol
Exact Mass342.11
IUPAC Name2-[4-(2-chlorophenyl)-5-methyl-1H-pyrazol-3-yl]-4-ethyl-5-methoxyphenol
SMILESCCc1cc(-c2n[nH]c(C)c2-c2ccccc2Cl)c(O)cc1OC
InChIInChI=1S/C19H19ClN2O2/c1-4-12-9-14(16(23)10-17(12)24-3)19-18(11(2)21-22-19)13-7-5-6-8-15(13)20/h5-10,23H,4H2,1-3H3,(H,21,22)
InChIKeyLIMUREPZIPKNLD-UHFFFAOYSA-N
XLogP4.98
TPSA58.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.83
LogP ≤ 54.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

CID 984170
CID 984170
CID 764764
CID 764764
CID 874817
CID 874817
CID 947248
CID 947248
CID 947289
CID 947289
CID 135481178
CID 135481178
CID 2001082
CID 2001082
CID 659188
CID 659188
CID 3750129
CID 3750129
CID 945537
CID 945537
CID 764775
CID 764775
CID 135567427
CID 135567427

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-chlorophenyl)-5-methyl-1H-pyrazol-3-yl]-4-ethyl-5-methoxyphenol?
The IUPAC name of 2-[4-(2-chlorophenyl)-5-methyl-1H-pyrazol-3-yl]-4-ethyl-5-methoxyphenol (CID 829800) is 2-[4-(2-chlorophenyl)-5-methyl-1H-pyrazol-3-yl]-4-ethyl-5-methoxyphenol.
What is the SMILES notation for 2-[4-(2-chlorophenyl)-5-methyl-1H-pyrazol-3-yl]-4-ethyl-5-methoxyphenol?
The canonical SMILES for 2-[4-(2-chlorophenyl)-5-methyl-1H-pyrazol-3-yl]-4-ethyl-5-methoxyphenol is CCc1cc(-c2n[nH]c(C)c2-c2ccccc2Cl)c(O)cc1OC.
What is the InChIKey of 2-[4-(2-chlorophenyl)-5-methyl-1H-pyrazol-3-yl]-4-ethyl-5-methoxyphenol?
The InChIKey is LIMUREPZIPKNLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O2/c1-4-12-9-14(16(23)10-17(12)24-3)19-18(11(2)21-22-19)13-7-5-6-8-15(13)20/h5-10,23H,4H2,1-3H3,(H,21,22).
What are the key properties of 2-[4-(2-chlorophenyl)-5-methyl-1H-pyrazol-3-yl]-4-ethyl-5-methoxyphenol?
2-[4-(2-chlorophenyl)-5-methyl-1H-pyrazol-3-yl]-4-ethyl-5-methoxyphenol has a molecular weight of 342.83 g/mol, XLogP of 4.98, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-chlorophenyl)-5-methyl-1H-pyrazol-3-yl]-4-ethyl-5-methoxyphenol is sourced from PubChem (CID 829800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).