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

C16H13ClN2O2 — CID 664370

IUPAC2-[4-(4-chlorophenyl)-1H-pyrazol-5-yl]-5-methoxyphenol
SMILESCOc1ccc(-c2[nH]ncc2-c2ccc(Cl)cc2)c(O)c1
InChIInChI=1S/C16H13ClN2O2/c1-21-12-6-7-13(15(20)8-12)16-14(9-18-19-16)10-2-4-11(17)5-3-10/h2-9,20H,1H3,(H,18,19)
InChIKeyKSGVQCLVXCCSCL-UHFFFAOYSA-N
MW300.75 g/mol
LogP4.11
Rot. Bonds3

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

2-[4-(4-chlorophenyl)-1H-pyrazol-5-yl]-5-methoxyphenol (PubChem CID 664370) has the molecular formula C16H13ClN2O2 and a molecular weight of 300.75 g/mol. Its IUPAC name is 2-[4-(4-chlorophenyl)-1H-pyrazol-5-yl]-5-methoxyphenol.

Molecular Properties

Compound Name2-[4-(4-chlorophenyl)-1H-pyrazol-5-yl]-5-methoxyphenol
PubChem CID664370
Molecular FormulaC16H13ClN2O2
Molecular Weight300.75 g/mol
Exact Mass300.07
IUPAC Name2-[4-(4-chlorophenyl)-1H-pyrazol-5-yl]-5-methoxyphenol
SMILESCOc1ccc(-c2[nH]ncc2-c2ccc(Cl)cc2)c(O)c1
InChIInChI=1S/C16H13ClN2O2/c1-21-12-6-7-13(15(20)8-12)16-14(9-18-19-16)10-2-4-11(17)5-3-10/h2-9,20H,1H3,(H,18,19)
InChIKeyKSGVQCLVXCCSCL-UHFFFAOYSA-N
XLogP4.11
TPSA58.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.75
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-chlorophenyl)-1H-pyrazol-5-yl]-5-methoxyphenol?
The IUPAC name of 2-[4-(4-chlorophenyl)-1H-pyrazol-5-yl]-5-methoxyphenol (CID 664370) is 2-[4-(4-chlorophenyl)-1H-pyrazol-5-yl]-5-methoxyphenol.
What is the SMILES notation for 2-[4-(4-chlorophenyl)-1H-pyrazol-5-yl]-5-methoxyphenol?
The canonical SMILES for 2-[4-(4-chlorophenyl)-1H-pyrazol-5-yl]-5-methoxyphenol is COc1ccc(-c2[nH]ncc2-c2ccc(Cl)cc2)c(O)c1.
What is the InChIKey of 2-[4-(4-chlorophenyl)-1H-pyrazol-5-yl]-5-methoxyphenol?
The InChIKey is KSGVQCLVXCCSCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O2/c1-21-12-6-7-13(15(20)8-12)16-14(9-18-19-16)10-2-4-11(17)5-3-10/h2-9,20H,1H3,(H,18,19).
What are the key properties of 2-[4-(4-chlorophenyl)-1H-pyrazol-5-yl]-5-methoxyphenol?
2-[4-(4-chlorophenyl)-1H-pyrazol-5-yl]-5-methoxyphenol has a molecular weight of 300.75 g/mol, XLogP of 4.11, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-chlorophenyl)-1H-pyrazol-5-yl]-5-methoxyphenol is sourced from PubChem (CID 664370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).