N-benzyl-1-methyl-4,5,6,7-tetrahydroindazol-4-amine

C15H19N3 — CID 43247637

IUPACN-benzyl-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
SMILESCn1ncc2c1CCCC2NCc1ccccc1
InChIInChI=1S/C15H19N3/c1-18-15-9-5-8-14(13(15)11-17-18)16-10-12-6-3-2-4-7-12/h2-4,6-7,11,14,16H,5,8-10H2,1H3
InChIKeyBQLKJCNZKOPYGJ-UHFFFAOYSA-N
MW241.34 g/mol
LogP2.59
Rot. Bonds3

About N-benzyl-1-methyl-4,5,6,7-tetrahydroindazol-4-amine

N-benzyl-1-methyl-4,5,6,7-tetrahydroindazol-4-amine (PubChem CID 43247637) has the molecular formula C15H19N3 and a molecular weight of 241.34 g/mol. Its IUPAC name is N-benzyl-1-methyl-4,5,6,7-tetrahydroindazol-4-amine.

Molecular Properties

Compound NameN-benzyl-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
PubChem CID43247637
Molecular FormulaC15H19N3
Molecular Weight241.34 g/mol
Exact Mass241.16
IUPAC NameN-benzyl-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
SMILESCn1ncc2c1CCCC2NCc1ccccc1
InChIInChI=1S/C15H19N3/c1-18-15-9-5-8-14(13(15)11-17-18)16-10-12-6-3-2-4-7-12/h2-4,6-7,11,14,16H,5,8-10H2,1H3
InChIKeyBQLKJCNZKOPYGJ-UHFFFAOYSA-N
XLogP2.59
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-bromophenyl)methyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
CID 43435391
1-methyl-N-(naphthalen-2-ylmethyl)-4,5,6,7-tetrahydroindazol-4-amine
CID 86776407
N-[[4-(dimethylamino)phenyl]methyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
CID 43247635
(4R)-N-[(3,4-dimethoxyphenyl)methyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
CID 38059936
(4S)-N-[(2-methoxyphenyl)methyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
CID 38060058
(4R)-N-[(2-methoxyphenyl)methyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
CID 38060056
(4R)-N-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
CID 38060530
2,6-dimethyl-4-[[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]methyl]phenol
CID 43435407
1-methyl-N-[(1-propylpyrrol-3-yl)methyl]-4,5,6,7-tetrahydroindazol-4-amine
CID 66414749
N'-methyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-N'-phenylethane-1,2-diamine
CID 71916265
1-benzyl-N-[(1-methylpyrazol-4-yl)methyl]-4,5,6,7-tetrahydroindazol-4-amine
CID 86772207
N-(1,3-benzodioxol-5-ylmethyl)-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
CID 43254628

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-methyl-4,5,6,7-tetrahydroindazol-4-amine?
The IUPAC name of N-benzyl-1-methyl-4,5,6,7-tetrahydroindazol-4-amine (CID 43247637) is N-benzyl-1-methyl-4,5,6,7-tetrahydroindazol-4-amine.
What is the SMILES notation for N-benzyl-1-methyl-4,5,6,7-tetrahydroindazol-4-amine?
The canonical SMILES for N-benzyl-1-methyl-4,5,6,7-tetrahydroindazol-4-amine is Cn1ncc2c1CCCC2NCc1ccccc1.
What is the InChIKey of N-benzyl-1-methyl-4,5,6,7-tetrahydroindazol-4-amine?
The InChIKey is BQLKJCNZKOPYGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3/c1-18-15-9-5-8-14(13(15)11-17-18)16-10-12-6-3-2-4-7-12/h2-4,6-7,11,14,16H,5,8-10H2,1H3.
What are the key properties of N-benzyl-1-methyl-4,5,6,7-tetrahydroindazol-4-amine?
N-benzyl-1-methyl-4,5,6,7-tetrahydroindazol-4-amine has a molecular weight of 241.34 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-methyl-4,5,6,7-tetrahydroindazol-4-amine is sourced from PubChem (CID 43247637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).