[1-(aminomethyl)-3,4-dihydro-2H-naphthalen-1-yl]-(1-methylpyrazol-4-yl)methanol

C16H21N3O — CID 79135632

IUPAC[1-(aminomethyl)-3,4-dihydro-2H-naphthalen-1-yl]-(1-methylpyrazol-4-yl)methanol
SMILESCn1cc(C(O)C2(CN)CCCc3ccccc32)cn1
InChIInChI=1S/C16H21N3O/c1-19-10-13(9-18-19)15(20)16(11-17)8-4-6-12-5-2-3-7-14(12)16/h2-3,5,7,9-10,15,20H,4,6,8,11,17H2,1H3
InChIKeyJQILDQCXDZQXGZ-UHFFFAOYSA-N
MW271.36 g/mol
LogP1.69
Rot. Bonds3

About [1-(aminomethyl)-3,4-dihydro-2H-naphthalen-1-yl]-(1-methylpyrazol-4-yl)methanol

[1-(aminomethyl)-3,4-dihydro-2H-naphthalen-1-yl]-(1-methylpyrazol-4-yl)methanol (PubChem CID 79135632) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is [1-(aminomethyl)-3,4-dihydro-2H-naphthalen-1-yl]-(1-methylpyrazol-4-yl)methanol.

Molecular Properties

Compound Name[1-(aminomethyl)-3,4-dihydro-2H-naphthalen-1-yl]-(1-methylpyrazol-4-yl)methanol
PubChem CID79135632
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name[1-(aminomethyl)-3,4-dihydro-2H-naphthalen-1-yl]-(1-methylpyrazol-4-yl)methanol
SMILESCn1cc(C(O)C2(CN)CCCc3ccccc32)cn1
InChIInChI=1S/C16H21N3O/c1-19-10-13(9-18-19)15(20)16(11-17)8-4-6-12-5-2-3-7-14(12)16/h2-3,5,7,9-10,15,20H,4,6,8,11,17H2,1H3
InChIKeyJQILDQCXDZQXGZ-UHFFFAOYSA-N
XLogP1.69
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(aminomethyl)-3,4-dihydro-2H-naphthalen-1-yl]-(1-methylpyrazol-4-yl)methanol?
The IUPAC name of [1-(aminomethyl)-3,4-dihydro-2H-naphthalen-1-yl]-(1-methylpyrazol-4-yl)methanol (CID 79135632) is [1-(aminomethyl)-3,4-dihydro-2H-naphthalen-1-yl]-(1-methylpyrazol-4-yl)methanol.
What is the SMILES notation for [1-(aminomethyl)-3,4-dihydro-2H-naphthalen-1-yl]-(1-methylpyrazol-4-yl)methanol?
The canonical SMILES for [1-(aminomethyl)-3,4-dihydro-2H-naphthalen-1-yl]-(1-methylpyrazol-4-yl)methanol is Cn1cc(C(O)C2(CN)CCCc3ccccc32)cn1.
What is the InChIKey of [1-(aminomethyl)-3,4-dihydro-2H-naphthalen-1-yl]-(1-methylpyrazol-4-yl)methanol?
The InChIKey is JQILDQCXDZQXGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-19-10-13(9-18-19)15(20)16(11-17)8-4-6-12-5-2-3-7-14(12)16/h2-3,5,7,9-10,15,20H,4,6,8,11,17H2,1H3.
What are the key properties of [1-(aminomethyl)-3,4-dihydro-2H-naphthalen-1-yl]-(1-methylpyrazol-4-yl)methanol?
[1-(aminomethyl)-3,4-dihydro-2H-naphthalen-1-yl]-(1-methylpyrazol-4-yl)methanol has a molecular weight of 271.36 g/mol, XLogP of 1.69, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(aminomethyl)-3,4-dihydro-2H-naphthalen-1-yl]-(1-methylpyrazol-4-yl)methanol is sourced from PubChem (CID 79135632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).