1-(6-methoxynaphthalen-2-yl)-N-(1H-pyrazol-5-ylmethyl)methanamine

C16H17N3O — CID 61285857

IUPAC1-(6-methoxynaphthalen-2-yl)-N-(1H-pyrazol-5-ylmethyl)methanamine
SMILESCOc1ccc2cc(CNCc3ccn[nH]3)ccc2c1
InChIInChI=1S/C16H17N3O/c1-20-16-5-4-13-8-12(2-3-14(13)9-16)10-17-11-15-6-7-18-19-15/h2-9,17H,10-11H2,1H3,(H,18,19)
InChIKeyQMMXZQYGDAWDQO-UHFFFAOYSA-N
MW267.33 g/mol
LogP2.86
Rot. Bonds5

About 1-(6-methoxynaphthalen-2-yl)-N-(1H-pyrazol-5-ylmethyl)methanamine

1-(6-methoxynaphthalen-2-yl)-N-(1H-pyrazol-5-ylmethyl)methanamine (PubChem CID 61285857) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is 1-(6-methoxynaphthalen-2-yl)-N-(1H-pyrazol-5-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(6-methoxynaphthalen-2-yl)-N-(1H-pyrazol-5-ylmethyl)methanamine
PubChem CID61285857
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC Name1-(6-methoxynaphthalen-2-yl)-N-(1H-pyrazol-5-ylmethyl)methanamine
SMILESCOc1ccc2cc(CNCc3ccn[nH]3)ccc2c1
InChIInChI=1S/C16H17N3O/c1-20-16-5-4-13-8-12(2-3-14(13)9-16)10-17-11-15-6-7-18-19-15/h2-9,17H,10-11H2,1H3,(H,18,19)
InChIKeyQMMXZQYGDAWDQO-UHFFFAOYSA-N
XLogP2.86
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-naphthalen-2-yl-N-(1H-pyrazol-5-ylmethyl)methanamine
CID 61285657
N-[(6-methoxynaphthalen-2-yl)methyl]-1-phenylmethanamine
CID 18505307
1-(1H-pyrazol-5-yl)-N-(1H-pyrazol-5-ylmethyl)methanamine
CID 61285482
N'-[(6-methoxynaphthalen-2-yl)methyl]ethane-1,2-diamine
CID 60887556
1-(6-methoxynaphthalen-2-yl)-N-(thiophen-3-ylmethyl)methanamine
CID 60711272
2-[3-[(1H-pyrazol-5-ylmethylamino)methyl]phenoxy]acetonitrile
CID 61286262
3,5-dimethoxy-N-(1H-pyrazol-5-ylmethyl)aniline;hydrochloride
CID 171316039
1-(6-methoxynaphthalen-2-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine
CID 63279880
1-(6-methoxynaphthalen-2-yl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]methanamine
CID 103700671
1-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]methanamine;dihydrochloride
CID 67859421
N-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]-1-(6-methoxynaphthalen-2-yl)methanamine
CID 30649329
[3-[(1H-pyrazol-5-ylmethylamino)methyl]phenyl]methanol;hydrochloride
CID 115615868

Frequently Asked Questions

What is the IUPAC name of 1-(6-methoxynaphthalen-2-yl)-N-(1H-pyrazol-5-ylmethyl)methanamine?
The IUPAC name of 1-(6-methoxynaphthalen-2-yl)-N-(1H-pyrazol-5-ylmethyl)methanamine (CID 61285857) is 1-(6-methoxynaphthalen-2-yl)-N-(1H-pyrazol-5-ylmethyl)methanamine.
What is the SMILES notation for 1-(6-methoxynaphthalen-2-yl)-N-(1H-pyrazol-5-ylmethyl)methanamine?
The canonical SMILES for 1-(6-methoxynaphthalen-2-yl)-N-(1H-pyrazol-5-ylmethyl)methanamine is COc1ccc2cc(CNCc3ccn[nH]3)ccc2c1.
What is the InChIKey of 1-(6-methoxynaphthalen-2-yl)-N-(1H-pyrazol-5-ylmethyl)methanamine?
The InChIKey is QMMXZQYGDAWDQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O/c1-20-16-5-4-13-8-12(2-3-14(13)9-16)10-17-11-15-6-7-18-19-15/h2-9,17H,10-11H2,1H3,(H,18,19).
What are the key properties of 1-(6-methoxynaphthalen-2-yl)-N-(1H-pyrazol-5-ylmethyl)methanamine?
1-(6-methoxynaphthalen-2-yl)-N-(1H-pyrazol-5-ylmethyl)methanamine has a molecular weight of 267.33 g/mol, XLogP of 2.86, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methoxynaphthalen-2-yl)-N-(1H-pyrazol-5-ylmethyl)methanamine is sourced from PubChem (CID 61285857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).