[3-(3-methylpyrazol-1-yl)naphthalen-2-yl]methanamine

C15H15N3 — CID 139945596

IUPAC[3-(3-methylpyrazol-1-yl)naphthalen-2-yl]methanamine
SMILESCc1ccn(-c2cc3ccccc3cc2CN)n1
InChIInChI=1S/C15H15N3/c1-11-6-7-18(17-11)15-9-13-5-3-2-4-12(13)8-14(15)10-16/h2-9H,10,16H2,1H3
InChIKeyVNYAQQUWGUBQHV-UHFFFAOYSA-N
MW237.31 g/mol
LogP2.79
Rot. Bonds2

About [3-(3-methylpyrazol-1-yl)naphthalen-2-yl]methanamine

[3-(3-methylpyrazol-1-yl)naphthalen-2-yl]methanamine (PubChem CID 139945596) has the molecular formula C15H15N3 and a molecular weight of 237.31 g/mol. Its IUPAC name is [3-(3-methylpyrazol-1-yl)naphthalen-2-yl]methanamine.

Molecular Properties

Compound Name[3-(3-methylpyrazol-1-yl)naphthalen-2-yl]methanamine
PubChem CID139945596
Molecular FormulaC15H15N3
Molecular Weight237.31 g/mol
Exact Mass237.13
IUPAC Name[3-(3-methylpyrazol-1-yl)naphthalen-2-yl]methanamine
SMILESCc1ccn(-c2cc3ccccc3cc2CN)n1
InChIInChI=1S/C15H15N3/c1-11-6-7-18(17-11)15-9-13-5-3-2-4-12(13)8-14(15)10-16/h2-9H,10,16H2,1H3
InChIKeyVNYAQQUWGUBQHV-UHFFFAOYSA-N
XLogP2.79
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-fluoronaphthalen-2-yl)-3-methylpyrazole
CID 141036229
[3-methyl-2-(3-methylpyrazol-1-yl)phenyl]methanamine
CID 107105879
2-fluoro-6-(3-methylpyrazol-1-yl)aniline
CID 62494293
[5-chloro-2-(3-methylpyrazol-1-yl)-4-pyridinyl]methanamine
CID 114927427
[4-(3-methylpyrazol-1-yl)phenyl]methanamine
CID 19627295
1-[2-(3-methylpyrazol-1-yl)phenyl]propan-1-amine
CID 112678344
N-[[6-methyl-4-(3-methylpyrazol-1-yl)-3-pyridinyl]methyl]propan-2-amine
CID 81255074
[3-chloro-2-(3-methylpyrazol-1-yl)-4-pyridinyl]methanamine
CID 107055878
4-methyl-3-(3-methylpyrazol-1-yl)aniline
CID 82405406
N-[[4-chloro-2-(3-methylpyrazol-1-yl)phenyl]methyl]-2-methylpropan-2-amine
CID 114854535
1-[5-chloro-2-(3-methylpyrazol-1-yl)phenyl]-N-methylmethanamine
CID 114854548
N-[[2-(3-methylpyrazol-1-yl)phenyl]methyl]pyrimidin-2-amine
CID 133375460

Frequently Asked Questions

What is the IUPAC name of [3-(3-methylpyrazol-1-yl)naphthalen-2-yl]methanamine?
The IUPAC name of [3-(3-methylpyrazol-1-yl)naphthalen-2-yl]methanamine (CID 139945596) is [3-(3-methylpyrazol-1-yl)naphthalen-2-yl]methanamine.
What is the SMILES notation for [3-(3-methylpyrazol-1-yl)naphthalen-2-yl]methanamine?
The canonical SMILES for [3-(3-methylpyrazol-1-yl)naphthalen-2-yl]methanamine is Cc1ccn(-c2cc3ccccc3cc2CN)n1.
What is the InChIKey of [3-(3-methylpyrazol-1-yl)naphthalen-2-yl]methanamine?
The InChIKey is VNYAQQUWGUBQHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3/c1-11-6-7-18(17-11)15-9-13-5-3-2-4-12(13)8-14(15)10-16/h2-9H,10,16H2,1H3.
What are the key properties of [3-(3-methylpyrazol-1-yl)naphthalen-2-yl]methanamine?
[3-(3-methylpyrazol-1-yl)naphthalen-2-yl]methanamine has a molecular weight of 237.31 g/mol, XLogP of 2.79, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-methylpyrazol-1-yl)naphthalen-2-yl]methanamine is sourced from PubChem (CID 139945596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).