1-methyl-N-(naphthalen-2-ylmethyl)-4,5,6,7-tetrahydroindazol-4-amine

C19H21N3 — CID 86776407

IUPAC1-methyl-N-(naphthalen-2-ylmethyl)-4,5,6,7-tetrahydroindazol-4-amine
SMILESCn1ncc2c1CCCC2NCc1ccc2ccccc2c1
InChIInChI=1S/C19H21N3/c1-22-19-8-4-7-18(17(19)13-21-22)20-12-14-9-10-15-5-2-3-6-16(15)11-14/h2-3,5-6,9-11,13,18,20H,4,7-8,12H2,1H3
InChIKeyYJGZLJSRMKPPTC-UHFFFAOYSA-N
MW291.40 g/mol
LogP3.74
Rot. Bonds3

About 1-methyl-N-(naphthalen-2-ylmethyl)-4,5,6,7-tetrahydroindazol-4-amine

1-methyl-N-(naphthalen-2-ylmethyl)-4,5,6,7-tetrahydroindazol-4-amine (PubChem CID 86776407) has the molecular formula C19H21N3 and a molecular weight of 291.40 g/mol. Its IUPAC name is 1-methyl-N-(naphthalen-2-ylmethyl)-4,5,6,7-tetrahydroindazol-4-amine.

Molecular Properties

Compound Name1-methyl-N-(naphthalen-2-ylmethyl)-4,5,6,7-tetrahydroindazol-4-amine
PubChem CID86776407
Molecular FormulaC19H21N3
Molecular Weight291.40 g/mol
Exact Mass291.17
IUPAC Name1-methyl-N-(naphthalen-2-ylmethyl)-4,5,6,7-tetrahydroindazol-4-amine
SMILESCn1ncc2c1CCCC2NCc1ccc2ccccc2c1
InChIInChI=1S/C19H21N3/c1-22-19-8-4-7-18(17(19)13-21-22)20-12-14-9-10-15-5-2-3-6-16(15)11-14/h2-3,5-6,9-11,13,18,20H,4,7-8,12H2,1H3
InChIKeyYJGZLJSRMKPPTC-UHFFFAOYSA-N
XLogP3.74
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(naphthalen-2-ylmethyl)-4,5,6,7-tetrahydroindazol-4-amine?
The IUPAC name of 1-methyl-N-(naphthalen-2-ylmethyl)-4,5,6,7-tetrahydroindazol-4-amine (CID 86776407) is 1-methyl-N-(naphthalen-2-ylmethyl)-4,5,6,7-tetrahydroindazol-4-amine.
What is the SMILES notation for 1-methyl-N-(naphthalen-2-ylmethyl)-4,5,6,7-tetrahydroindazol-4-amine?
The canonical SMILES for 1-methyl-N-(naphthalen-2-ylmethyl)-4,5,6,7-tetrahydroindazol-4-amine is Cn1ncc2c1CCCC2NCc1ccc2ccccc2c1.
What is the InChIKey of 1-methyl-N-(naphthalen-2-ylmethyl)-4,5,6,7-tetrahydroindazol-4-amine?
The InChIKey is YJGZLJSRMKPPTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3/c1-22-19-8-4-7-18(17(19)13-21-22)20-12-14-9-10-15-5-2-3-6-16(15)11-14/h2-3,5-6,9-11,13,18,20H,4,7-8,12H2,1H3.
What are the key properties of 1-methyl-N-(naphthalen-2-ylmethyl)-4,5,6,7-tetrahydroindazol-4-amine?
1-methyl-N-(naphthalen-2-ylmethyl)-4,5,6,7-tetrahydroindazol-4-amine has a molecular weight of 291.40 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(naphthalen-2-ylmethyl)-4,5,6,7-tetrahydroindazol-4-amine is sourced from PubChem (CID 86776407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).