[1-methyl-5-(2-naphthalen-2-ylethyl)pyrazol-3-yl]methanamine

C17H19N3 — CID 155103964

IUPAC[1-methyl-5-(2-naphthalen-2-ylethyl)pyrazol-3-yl]methanamine
SMILESCn1nc(CN)cc1CCc1ccc2ccccc2c1
InChIInChI=1S/C17H19N3/c1-20-17(11-16(12-18)19-20)9-7-13-6-8-14-4-2-3-5-15(14)10-13/h2-6,8,10-11H,7,9,12,18H2,1H3
InChIKeyNKEXENRKFLQMRW-UHFFFAOYSA-N
MW265.36 g/mol
LogP2.82
Rot. Bonds4

About [1-methyl-5-(2-naphthalen-2-ylethyl)pyrazol-3-yl]methanamine

[1-methyl-5-(2-naphthalen-2-ylethyl)pyrazol-3-yl]methanamine (PubChem CID 155103964) has the molecular formula C17H19N3 and a molecular weight of 265.36 g/mol. Its IUPAC name is [1-methyl-5-(2-naphthalen-2-ylethyl)pyrazol-3-yl]methanamine.

Molecular Properties

Compound Name[1-methyl-5-(2-naphthalen-2-ylethyl)pyrazol-3-yl]methanamine
PubChem CID155103964
Molecular FormulaC17H19N3
Molecular Weight265.36 g/mol
Exact Mass265.16
IUPAC Name[1-methyl-5-(2-naphthalen-2-ylethyl)pyrazol-3-yl]methanamine
SMILESCn1nc(CN)cc1CCc1ccc2ccccc2c1
InChIInChI=1S/C17H19N3/c1-20-17(11-16(12-18)19-20)9-7-13-6-8-14-4-2-3-5-15(14)10-13/h2-6,8,10-11H,7,9,12,18H2,1H3
InChIKeyNKEXENRKFLQMRW-UHFFFAOYSA-N
XLogP2.82
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(chloromethyl)-1-(2-naphthalen-2-ylethyl)imidazole
CID 18670905
2-(11-naphthalen-2-ylundecyl)naphthalene
CID 86035863
pentacen-2-ylmethanamine
CID 162482734
triethyl(2-naphthalen-2-ylethyl)silane
CID 140900130
(2R)-4-naphthalen-2-ylbutan-2-amine
CID 131577314
4,5-dichloro-1,3-bis(2-naphthalen-2-ylethyl)-2H-imidazole
CID 123381713
[3-methyl-1-(2-naphthalen-2-ylethyl)pyrrolidin-3-yl]methanamine;hydrochloride
CID 120772336
CID 57459119
CID 57459119
(1,5-dimethylpyrazol-3-yl)methanamine;hydrochloride
CID 45157159
1-methyl-3-(2-naphthalen-2-yloxyethyl)pyrazol-5-amine
CID 82092271
3,5-bis(2-naphthalen-2-ylethyl)phenol
CID 171715370
2,2-dimethyl-3-naphthalen-2-ylpropan-1-amine;hydrochloride
CID 122240080

Frequently Asked Questions

What is the IUPAC name of [1-methyl-5-(2-naphthalen-2-ylethyl)pyrazol-3-yl]methanamine?
The IUPAC name of [1-methyl-5-(2-naphthalen-2-ylethyl)pyrazol-3-yl]methanamine (CID 155103964) is [1-methyl-5-(2-naphthalen-2-ylethyl)pyrazol-3-yl]methanamine.
What is the SMILES notation for [1-methyl-5-(2-naphthalen-2-ylethyl)pyrazol-3-yl]methanamine?
The canonical SMILES for [1-methyl-5-(2-naphthalen-2-ylethyl)pyrazol-3-yl]methanamine is Cn1nc(CN)cc1CCc1ccc2ccccc2c1.
What is the InChIKey of [1-methyl-5-(2-naphthalen-2-ylethyl)pyrazol-3-yl]methanamine?
The InChIKey is NKEXENRKFLQMRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3/c1-20-17(11-16(12-18)19-20)9-7-13-6-8-14-4-2-3-5-15(14)10-13/h2-6,8,10-11H,7,9,12,18H2,1H3.
What are the key properties of [1-methyl-5-(2-naphthalen-2-ylethyl)pyrazol-3-yl]methanamine?
[1-methyl-5-(2-naphthalen-2-ylethyl)pyrazol-3-yl]methanamine has a molecular weight of 265.36 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-methyl-5-(2-naphthalen-2-ylethyl)pyrazol-3-yl]methanamine is sourced from PubChem (CID 155103964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).