6-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)naphthalen-2-ol

C19H15N3O — CID 11659444

IUPAC6-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)naphthalen-2-ol
SMILESCn1cc(-c2ccc3cc(O)ccc3c2)c(-c2ccncc2)n1
InChIInChI=1S/C19H15N3O/c1-22-12-18(19(21-22)13-6-8-20-9-7-13)16-3-2-15-11-17(23)5-4-14(15)10-16/h2-12,23H,1H3
InChIKeyUFYYHTRPMRGEQA-UHFFFAOYSA-N
MW301.35 g/mol
LogP4.01
Rot. Bonds2

About 6-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)naphthalen-2-ol

6-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)naphthalen-2-ol (PubChem CID 11659444) has the molecular formula C19H15N3O and a molecular weight of 301.35 g/mol. Its IUPAC name is 6-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)naphthalen-2-ol.

Molecular Properties

Compound Name6-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)naphthalen-2-ol
PubChem CID11659444
Molecular FormulaC19H15N3O
Molecular Weight301.35 g/mol
Exact Mass301.12
IUPAC Name6-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)naphthalen-2-ol
SMILESCn1cc(-c2ccc3cc(O)ccc3c2)c(-c2ccncc2)n1
InChIInChI=1S/C19H15N3O/c1-22-12-18(19(21-22)13-6-8-20-9-7-13)16-3-2-15-11-17(23)5-4-14(15)10-16/h2-12,23H,1H3
InChIKeyUFYYHTRPMRGEQA-UHFFFAOYSA-N
XLogP4.01
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)naphthalen-2-ol?
The IUPAC name of 6-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)naphthalen-2-ol (CID 11659444) is 6-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)naphthalen-2-ol.
What is the SMILES notation for 6-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)naphthalen-2-ol?
The canonical SMILES for 6-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)naphthalen-2-ol is Cn1cc(-c2ccc3cc(O)ccc3c2)c(-c2ccncc2)n1.
What is the InChIKey of 6-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)naphthalen-2-ol?
The InChIKey is UFYYHTRPMRGEQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O/c1-22-12-18(19(21-22)13-6-8-20-9-7-13)16-3-2-15-11-17(23)5-4-14(15)10-16/h2-12,23H,1H3.
What are the key properties of 6-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)naphthalen-2-ol?
6-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)naphthalen-2-ol has a molecular weight of 301.35 g/mol, XLogP of 4.01, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)naphthalen-2-ol is sourced from PubChem (CID 11659444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).