5-(4-chlorophenyl)-3-(4-methoxyphenyl)-1H-pyrazol-4-ol

C16H13ClN2O2 — CID 170556878

IUPAC5-(4-chlorophenyl)-3-(4-methoxyphenyl)-1H-pyrazol-4-ol
SMILESCOc1ccc(-c2n[nH]c(-c3ccc(Cl)cc3)c2O)cc1
InChIInChI=1S/C16H13ClN2O2/c1-21-13-8-4-11(5-9-13)15-16(20)14(18-19-15)10-2-6-12(17)7-3-10/h2-9,20H,1H3,(H,18,19)
InChIKeyDGJJPKVKSOMJBZ-UHFFFAOYSA-N
MW300.75 g/mol
LogP4.11
Rot. Bonds3

About 5-(4-chlorophenyl)-3-(4-methoxyphenyl)-1H-pyrazol-4-ol

5-(4-chlorophenyl)-3-(4-methoxyphenyl)-1H-pyrazol-4-ol (PubChem CID 170556878) has the molecular formula C16H13ClN2O2 and a molecular weight of 300.75 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-3-(4-methoxyphenyl)-1H-pyrazol-4-ol.

Molecular Properties

Compound Name5-(4-chlorophenyl)-3-(4-methoxyphenyl)-1H-pyrazol-4-ol
PubChem CID170556878
Molecular FormulaC16H13ClN2O2
Molecular Weight300.75 g/mol
Exact Mass300.07
IUPAC Name5-(4-chlorophenyl)-3-(4-methoxyphenyl)-1H-pyrazol-4-ol
SMILESCOc1ccc(-c2n[nH]c(-c3ccc(Cl)cc3)c2O)cc1
InChIInChI=1S/C16H13ClN2O2/c1-21-13-8-4-11(5-9-13)15-16(20)14(18-19-15)10-2-6-12(17)7-3-10/h2-9,20H,1H3,(H,18,19)
InChIKeyDGJJPKVKSOMJBZ-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 5-(4-chlorophenyl)-3-(4-methoxyphenyl)-1H-pyrazol-4-ol?
The IUPAC name of 5-(4-chlorophenyl)-3-(4-methoxyphenyl)-1H-pyrazol-4-ol (CID 170556878) is 5-(4-chlorophenyl)-3-(4-methoxyphenyl)-1H-pyrazol-4-ol.
What is the SMILES notation for 5-(4-chlorophenyl)-3-(4-methoxyphenyl)-1H-pyrazol-4-ol?
The canonical SMILES for 5-(4-chlorophenyl)-3-(4-methoxyphenyl)-1H-pyrazol-4-ol is COc1ccc(-c2n[nH]c(-c3ccc(Cl)cc3)c2O)cc1.
What is the InChIKey of 5-(4-chlorophenyl)-3-(4-methoxyphenyl)-1H-pyrazol-4-ol?
The InChIKey is DGJJPKVKSOMJBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O2/c1-21-13-8-4-11(5-9-13)15-16(20)14(18-19-15)10-2-6-12(17)7-3-10/h2-9,20H,1H3,(H,18,19).
What are the key properties of 5-(4-chlorophenyl)-3-(4-methoxyphenyl)-1H-pyrazol-4-ol?
5-(4-chlorophenyl)-3-(4-methoxyphenyl)-1H-pyrazol-4-ol 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 5-(4-chlorophenyl)-3-(4-methoxyphenyl)-1H-pyrazol-4-ol is sourced from PubChem (CID 170556878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).