5-[(1,3-dimethylpyrazol-4-yl)methylamino]naphthalen-1-ol

C16H17N3O — CID 83089796

IUPAC5-[(1,3-dimethylpyrazol-4-yl)methylamino]naphthalen-1-ol
SMILESCc1nn(C)cc1CNc1cccc2c(O)cccc12
InChIInChI=1S/C16H17N3O/c1-11-12(10-19(2)18-11)9-17-15-7-3-6-14-13(15)5-4-8-16(14)20/h3-8,10,17,20H,9H2,1-2H3
InChIKeyVHVVGAKVJBXFOJ-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.20
Rot. Bonds3

About 5-[(1,3-dimethylpyrazol-4-yl)methylamino]naphthalen-1-ol

5-[(1,3-dimethylpyrazol-4-yl)methylamino]naphthalen-1-ol (PubChem CID 83089796) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is 5-[(1,3-dimethylpyrazol-4-yl)methylamino]naphthalen-1-ol.

Molecular Properties

Compound Name5-[(1,3-dimethylpyrazol-4-yl)methylamino]naphthalen-1-ol
PubChem CID83089796
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC Name5-[(1,3-dimethylpyrazol-4-yl)methylamino]naphthalen-1-ol
SMILESCc1nn(C)cc1CNc1cccc2c(O)cccc12
InChIInChI=1S/C16H17N3O/c1-11-12(10-19(2)18-11)9-17-15-7-3-6-14-13(15)5-4-8-16(14)20/h3-8,10,17,20H,9H2,1-2H3
InChIKeyVHVVGAKVJBXFOJ-UHFFFAOYSA-N
XLogP3.20
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(1,3-dimethylpyrazol-4-yl)methylamino]naphthalen-1-ol?
The IUPAC name of 5-[(1,3-dimethylpyrazol-4-yl)methylamino]naphthalen-1-ol (CID 83089796) is 5-[(1,3-dimethylpyrazol-4-yl)methylamino]naphthalen-1-ol.
What is the SMILES notation for 5-[(1,3-dimethylpyrazol-4-yl)methylamino]naphthalen-1-ol?
The canonical SMILES for 5-[(1,3-dimethylpyrazol-4-yl)methylamino]naphthalen-1-ol is Cc1nn(C)cc1CNc1cccc2c(O)cccc12.
What is the InChIKey of 5-[(1,3-dimethylpyrazol-4-yl)methylamino]naphthalen-1-ol?
The InChIKey is VHVVGAKVJBXFOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O/c1-11-12(10-19(2)18-11)9-17-15-7-3-6-14-13(15)5-4-8-16(14)20/h3-8,10,17,20H,9H2,1-2H3.
What are the key properties of 5-[(1,3-dimethylpyrazol-4-yl)methylamino]naphthalen-1-ol?
5-[(1,3-dimethylpyrazol-4-yl)methylamino]naphthalen-1-ol has a molecular weight of 267.33 g/mol, XLogP of 3.20, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1,3-dimethylpyrazol-4-yl)methylamino]naphthalen-1-ol is sourced from PubChem (CID 83089796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).