1-[[(1,3-dimethylpyrazol-4-yl)amino]methyl]naphthalen-2-ol

C16H17N3O — CID 104954359

IUPAC1-[[(1,3-dimethylpyrazol-4-yl)amino]methyl]naphthalen-2-ol
SMILESCc1nn(C)cc1NCc1c(O)ccc2ccccc12
InChIInChI=1S/C16H17N3O/c1-11-15(10-19(2)18-11)17-9-14-13-6-4-3-5-12(13)7-8-16(14)20/h3-8,10,17,20H,9H2,1-2H3
InChIKeyZCNBUFHSEWSVPM-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.20
Rot. Bonds3

About 1-[[(1,3-dimethylpyrazol-4-yl)amino]methyl]naphthalen-2-ol

1-[[(1,3-dimethylpyrazol-4-yl)amino]methyl]naphthalen-2-ol (PubChem CID 104954359) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is 1-[[(1,3-dimethylpyrazol-4-yl)amino]methyl]naphthalen-2-ol.

Molecular Properties

Compound Name1-[[(1,3-dimethylpyrazol-4-yl)amino]methyl]naphthalen-2-ol
PubChem CID104954359
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC Name1-[[(1,3-dimethylpyrazol-4-yl)amino]methyl]naphthalen-2-ol
SMILESCc1nn(C)cc1NCc1c(O)ccc2ccccc12
InChIInChI=1S/C16H17N3O/c1-11-15(10-19(2)18-11)17-9-14-13-6-4-3-5-12(13)7-8-16(14)20/h3-8,10,17,20H,9H2,1-2H3
InChIKeyZCNBUFHSEWSVPM-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

4-[[(1,3-dimethylpyrazol-4-yl)amino]methyl]benzene-1,3-diol
CID 19627588
5-[(1,3-dimethylpyrazol-4-yl)methylamino]naphthalen-1-ol
CID 83089796
1-[(1,3-dimethylpyrazol-4-yl)diazenyl]naphthalen-2-ol
CID 136818473
4-[[(1,3-dimethylpyrazol-4-yl)amino]methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol
CID 104956480
2-[(1,3-dimethylpyrazol-4-yl)amino]-1-naphthalen-2-ylethanol
CID 102805452
1-[[2-(1-methylpyrazol-4-yl)ethylamino]methyl]naphthalen-2-ol
CID 78916548
1-[[(1-ethylpyrazol-4-yl)amino]methyl]naphthalen-2-ol
CID 43543502
1-[(2,2-dimethylpropylamino)methyl]naphthalen-2-ol
CID 61166416
1-[(acridin-9-ylamino)methyl]naphthalen-2-ol
CID 52939432
1-[[2-methyl-5-(1,3-oxazol-5-yl)anilino]methyl]naphthalen-2-ol
CID 71737151
N-[(2,3-dimethylphenyl)methyl]-1,3-dimethylpyrazol-4-amine
CID 103866854
1-[[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]methyl]naphthalen-2-ol
CID 78916549

Frequently Asked Questions

What is the IUPAC name of 1-[[(1,3-dimethylpyrazol-4-yl)amino]methyl]naphthalen-2-ol?
The IUPAC name of 1-[[(1,3-dimethylpyrazol-4-yl)amino]methyl]naphthalen-2-ol (CID 104954359) is 1-[[(1,3-dimethylpyrazol-4-yl)amino]methyl]naphthalen-2-ol.
What is the SMILES notation for 1-[[(1,3-dimethylpyrazol-4-yl)amino]methyl]naphthalen-2-ol?
The canonical SMILES for 1-[[(1,3-dimethylpyrazol-4-yl)amino]methyl]naphthalen-2-ol is Cc1nn(C)cc1NCc1c(O)ccc2ccccc12.
What is the InChIKey of 1-[[(1,3-dimethylpyrazol-4-yl)amino]methyl]naphthalen-2-ol?
The InChIKey is ZCNBUFHSEWSVPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O/c1-11-15(10-19(2)18-11)17-9-14-13-6-4-3-5-12(13)7-8-16(14)20/h3-8,10,17,20H,9H2,1-2H3.
What are the key properties of 1-[[(1,3-dimethylpyrazol-4-yl)amino]methyl]naphthalen-2-ol?
1-[[(1,3-dimethylpyrazol-4-yl)amino]methyl]naphthalen-2-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 1-[[(1,3-dimethylpyrazol-4-yl)amino]methyl]naphthalen-2-ol is sourced from PubChem (CID 104954359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).