1-[[(1-ethylpyrazol-4-yl)amino]methyl]naphthalen-2-ol

C16H17N3O — CID 43543502

IUPAC1-[[(1-ethylpyrazol-4-yl)amino]methyl]naphthalen-2-ol
SMILESCCn1cc(NCc2c(O)ccc3ccccc23)cn1
InChIInChI=1S/C16H17N3O/c1-2-19-11-13(9-18-19)17-10-15-14-6-4-3-5-12(14)7-8-16(15)20/h3-9,11,17,20H,2,10H2,1H3
InChIKeyYJXODFCCUDMZFL-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.37
Rot. Bonds4

About 1-[[(1-ethylpyrazol-4-yl)amino]methyl]naphthalen-2-ol

1-[[(1-ethylpyrazol-4-yl)amino]methyl]naphthalen-2-ol (PubChem CID 43543502) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is 1-[[(1-ethylpyrazol-4-yl)amino]methyl]naphthalen-2-ol.

Molecular Properties

Compound Name1-[[(1-ethylpyrazol-4-yl)amino]methyl]naphthalen-2-ol
PubChem CID43543502
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC Name1-[[(1-ethylpyrazol-4-yl)amino]methyl]naphthalen-2-ol
SMILESCCn1cc(NCc2c(O)ccc3ccccc23)cn1
InChIInChI=1S/C16H17N3O/c1-2-19-11-13(9-18-19)17-10-15-14-6-4-3-5-12(14)7-8-16(15)20/h3-9,11,17,20H,2,10H2,1H3
InChIKeyYJXODFCCUDMZFL-UHFFFAOYSA-N
XLogP3.37
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[[(1-ethylpyrazol-4-yl)amino]methyl]naphthalen-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[[(1-ethylpyrazol-4-yl)amino]methyl]phenol
CID 19627559
2-[[(1-propylpyrazol-4-yl)amino]methyl]phenol;hydrochloride
CID 126965558
1-[(acridin-9-ylamino)methyl]naphthalen-2-ol
CID 52939432
N,1-diethylpyrazol-4-amine
CID 43543394
1-[[(1,3-dimethylpyrazol-4-yl)amino]methyl]naphthalen-2-ol
CID 104954359
1-ethyl-N-[(2-methoxyphenyl)methyl]pyrazol-4-amine
CID 19625854
1-ethyl-N-(2-phenylethyl)pyrazol-4-amine
CID 43543523
1-[[2-(1-methylpyrazol-4-yl)ethylamino]methyl]naphthalen-2-ol
CID 78916548
1-[(2,2-dimethylpropylamino)methyl]naphthalen-2-ol
CID 61166416
1-ethyl-N-[(2-ethylpyrazol-3-yl)methyl]pyrazol-4-amine
CID 19626405
1-ethyl-N-(9H-fluoren-9-yl)pyrazol-4-amine
CID 43543494
1-[(1-ethylpyrazol-4-yl)methyl]-3-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]thiourea
CID 19343206

Frequently Asked Questions

What is the IUPAC name of 1-[[(1-ethylpyrazol-4-yl)amino]methyl]naphthalen-2-ol?
The IUPAC name of 1-[[(1-ethylpyrazol-4-yl)amino]methyl]naphthalen-2-ol (CID 43543502) is 1-[[(1-ethylpyrazol-4-yl)amino]methyl]naphthalen-2-ol.
What is the SMILES notation for 1-[[(1-ethylpyrazol-4-yl)amino]methyl]naphthalen-2-ol?
The canonical SMILES for 1-[[(1-ethylpyrazol-4-yl)amino]methyl]naphthalen-2-ol is CCn1cc(NCc2c(O)ccc3ccccc23)cn1.
What is the InChIKey of 1-[[(1-ethylpyrazol-4-yl)amino]methyl]naphthalen-2-ol?
The InChIKey is YJXODFCCUDMZFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O/c1-2-19-11-13(9-18-19)17-10-15-14-6-4-3-5-12(14)7-8-16(15)20/h3-9,11,17,20H,2,10H2,1H3.
What are the key properties of 1-[[(1-ethylpyrazol-4-yl)amino]methyl]naphthalen-2-ol?
1-[[(1-ethylpyrazol-4-yl)amino]methyl]naphthalen-2-ol has a molecular weight of 267.33 g/mol, XLogP of 3.37, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(1-ethylpyrazol-4-yl)amino]methyl]naphthalen-2-ol is sourced from PubChem (CID 43543502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).