2-[1-[(5-methyl-1H-pyrazol-4-yl)methylamino]ethyl]naphthalen-1-ol

C17H19N3O — CID 61004067

IUPAC2-[1-[(5-methyl-1H-pyrazol-4-yl)methylamino]ethyl]naphthalen-1-ol
SMILESCc1[nH]ncc1CNC(C)c1ccc2ccccc2c1O
InChIInChI=1S/C17H19N3O/c1-11-14(10-19-20-11)9-18-12(2)15-8-7-13-5-3-4-6-16(13)17(15)21/h3-8,10,12,18,21H,9H2,1-2H3,(H,19,20)
InChIKeyRBAPJNXQDZOQIE-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.43
Rot. Bonds4

About 2-[1-[(5-methyl-1H-pyrazol-4-yl)methylamino]ethyl]naphthalen-1-ol

2-[1-[(5-methyl-1H-pyrazol-4-yl)methylamino]ethyl]naphthalen-1-ol (PubChem CID 61004067) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is 2-[1-[(5-methyl-1H-pyrazol-4-yl)methylamino]ethyl]naphthalen-1-ol.

Molecular Properties

Compound Name2-[1-[(5-methyl-1H-pyrazol-4-yl)methylamino]ethyl]naphthalen-1-ol
PubChem CID61004067
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name2-[1-[(5-methyl-1H-pyrazol-4-yl)methylamino]ethyl]naphthalen-1-ol
SMILESCc1[nH]ncc1CNC(C)c1ccc2ccccc2c1O
InChIInChI=1S/C17H19N3O/c1-11-14(10-19-20-11)9-18-12(2)15-8-7-13-5-3-4-6-16(13)17(15)21/h3-8,10,12,18,21H,9H2,1-2H3,(H,19,20)
InChIKeyRBAPJNXQDZOQIE-UHFFFAOYSA-N
XLogP3.43
TPSA60.94 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[1-[2-(dimethylamino)ethylamino]ethyl]naphthalen-1-ol
CID 16787222
2-[1-[2-(1H-1,2,4-triazol-5-yl)ethylamino]ethyl]naphthalen-1-ol
CID 64547757
1-(4-methylphenyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]ethanamine
CID 54893050
1-(1,3-benzothiazol-2-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]ethanamine
CID 54896322
N-[2-[1-(1-hydroxynaphthalen-2-yl)ethylamino]ethyl]methanesulfonamide
CID 43111802
1-(2,5-dimethylthiophen-3-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]ethanamine
CID 43737489
2-[1-[(2-methyl-3-methylsulfanylpropyl)amino]ethyl]naphthalen-1-ol
CID 63981736
2-[1-(1-hydroxybutan-2-ylamino)ethyl]naphthalen-1-ol
CID 43207098
1-(4-chlorophenyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]ethanamine
CID 43663590
(2R)-2-[(5-methyl-1H-pyrazol-4-yl)methylamino]propan-1-ol
CID 93257822
1-(1,3-dimethylpyrazol-4-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]ethanamine
CID 63379064
4-[[1-(1-hydroxynaphthalen-2-yl)ethylamino]methyl]-3H-1,3-thiazol-2-one
CID 106380341

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(5-methyl-1H-pyrazol-4-yl)methylamino]ethyl]naphthalen-1-ol?
The IUPAC name of 2-[1-[(5-methyl-1H-pyrazol-4-yl)methylamino]ethyl]naphthalen-1-ol (CID 61004067) is 2-[1-[(5-methyl-1H-pyrazol-4-yl)methylamino]ethyl]naphthalen-1-ol.
What is the SMILES notation for 2-[1-[(5-methyl-1H-pyrazol-4-yl)methylamino]ethyl]naphthalen-1-ol?
The canonical SMILES for 2-[1-[(5-methyl-1H-pyrazol-4-yl)methylamino]ethyl]naphthalen-1-ol is Cc1[nH]ncc1CNC(C)c1ccc2ccccc2c1O.
What is the InChIKey of 2-[1-[(5-methyl-1H-pyrazol-4-yl)methylamino]ethyl]naphthalen-1-ol?
The InChIKey is RBAPJNXQDZOQIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c1-11-14(10-19-20-11)9-18-12(2)15-8-7-13-5-3-4-6-16(13)17(15)21/h3-8,10,12,18,21H,9H2,1-2H3,(H,19,20).
What are the key properties of 2-[1-[(5-methyl-1H-pyrazol-4-yl)methylamino]ethyl]naphthalen-1-ol?
2-[1-[(5-methyl-1H-pyrazol-4-yl)methylamino]ethyl]naphthalen-1-ol has a molecular weight of 281.36 g/mol, XLogP of 3.43, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(5-methyl-1H-pyrazol-4-yl)methylamino]ethyl]naphthalen-1-ol is sourced from PubChem (CID 61004067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).