1-[1-(4-chlorophenyl)-5-methylpyrazol-3-yl]naphthalen-2-ol

C20H15ClN2O — CID 135465504

IUPAC1-[1-(4-chlorophenyl)-5-methylpyrazol-3-yl]naphthalen-2-ol
SMILESCc1cc(-c2c(O)ccc3ccccc23)nn1-c1ccc(Cl)cc1
InChIInChI=1S/C20H15ClN2O/c1-13-12-18(22-23(13)16-9-7-15(21)8-10-16)20-17-5-3-2-4-14(17)6-11-19(20)24/h2-12,24H,1H3
InChIKeyMFJYEJUJTYPFLB-UHFFFAOYSA-N
MW334.81 g/mol
LogP5.36
Rot. Bonds2

About 1-[1-(4-chlorophenyl)-5-methylpyrazol-3-yl]naphthalen-2-ol

1-[1-(4-chlorophenyl)-5-methylpyrazol-3-yl]naphthalen-2-ol (PubChem CID 135465504) has the molecular formula C20H15ClN2O and a molecular weight of 334.81 g/mol. Its IUPAC name is 1-[1-(4-chlorophenyl)-5-methylpyrazol-3-yl]naphthalen-2-ol.

Molecular Properties

Compound Name1-[1-(4-chlorophenyl)-5-methylpyrazol-3-yl]naphthalen-2-ol
PubChem CID135465504
Molecular FormulaC20H15ClN2O
Molecular Weight334.81 g/mol
Exact Mass334.09
IUPAC Name1-[1-(4-chlorophenyl)-5-methylpyrazol-3-yl]naphthalen-2-ol
SMILESCc1cc(-c2c(O)ccc3ccccc23)nn1-c1ccc(Cl)cc1
InChIInChI=1S/C20H15ClN2O/c1-13-12-18(22-23(13)16-9-7-15(21)8-10-16)20-17-5-3-2-4-14(17)6-11-19(20)24/h2-12,24H,1H3
InChIKeyMFJYEJUJTYPFLB-UHFFFAOYSA-N
XLogP5.36
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.81
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-chlorophenyl)-5-methylpyrazol-3-yl]naphthalen-2-ol?
The IUPAC name of 1-[1-(4-chlorophenyl)-5-methylpyrazol-3-yl]naphthalen-2-ol (CID 135465504) is 1-[1-(4-chlorophenyl)-5-methylpyrazol-3-yl]naphthalen-2-ol.
What is the SMILES notation for 1-[1-(4-chlorophenyl)-5-methylpyrazol-3-yl]naphthalen-2-ol?
The canonical SMILES for 1-[1-(4-chlorophenyl)-5-methylpyrazol-3-yl]naphthalen-2-ol is Cc1cc(-c2c(O)ccc3ccccc23)nn1-c1ccc(Cl)cc1.
What is the InChIKey of 1-[1-(4-chlorophenyl)-5-methylpyrazol-3-yl]naphthalen-2-ol?
The InChIKey is MFJYEJUJTYPFLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClN2O/c1-13-12-18(22-23(13)16-9-7-15(21)8-10-16)20-17-5-3-2-4-14(17)6-11-19(20)24/h2-12,24H,1H3.
What are the key properties of 1-[1-(4-chlorophenyl)-5-methylpyrazol-3-yl]naphthalen-2-ol?
1-[1-(4-chlorophenyl)-5-methylpyrazol-3-yl]naphthalen-2-ol has a molecular weight of 334.81 g/mol, XLogP of 5.36, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-chlorophenyl)-5-methylpyrazol-3-yl]naphthalen-2-ol is sourced from PubChem (CID 135465504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).