(4R)-N-[(3,4-dimethoxyphenyl)methyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine

C17H23N3O2 — CID 38059936

IUPAC(4R)-N-[(3,4-dimethoxyphenyl)methyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
SMILESCOc1ccc(CN[C@@H]2CCCc3c2cnn3C)cc1OC
InChIInChI=1S/C17H23N3O2/c1-20-15-6-4-5-14(13(15)11-19-20)18-10-12-7-8-16(21-2)17(9-12)22-3/h7-9,11,14,18H,4-6,10H2,1-3H3/t14-/m1/s1
InChIKeySMVQXWSDEXZMFY-CQSZACIVSA-N
MW301.39 g/mol
LogP2.60
Rot. Bonds5

About (4R)-N-[(3,4-dimethoxyphenyl)methyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine

(4R)-N-[(3,4-dimethoxyphenyl)methyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine (PubChem CID 38059936) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is (4R)-N-[(3,4-dimethoxyphenyl)methyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine.

Molecular Properties

Compound Name(4R)-N-[(3,4-dimethoxyphenyl)methyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
PubChem CID38059936
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC Name(4R)-N-[(3,4-dimethoxyphenyl)methyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
SMILESCOc1ccc(CN[C@@H]2CCCc3c2cnn3C)cc1OC
InChIInChI=1S/C17H23N3O2/c1-20-15-6-4-5-14(13(15)11-19-20)18-10-12-7-8-16(21-2)17(9-12)22-3/h7-9,11,14,18H,4-6,10H2,1-3H3/t14-/m1/s1
InChIKeySMVQXWSDEXZMFY-CQSZACIVSA-N
XLogP2.60
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (4R)-N-[(3,4-dimethoxyphenyl)methyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine with MolForge

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Related Compounds

2-(3,4-dimethoxyphenyl)-N-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]acetamide
CID 94080097
1-methyl-N-(naphthalen-2-ylmethyl)-4,5,6,7-tetrahydroindazol-4-amine
CID 86776407
(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
N-[(4-bromophenyl)methyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
CID 43435391
(4S)-N-[(4-ethoxy-3-methoxyphenyl)methyl]-1-ethyl-4,5,6,7-tetrahydroindazol-4-amine
CID 95778611
(4S)-N-[(3-ethoxy-4-methoxyphenyl)methyl]-1-ethyl-4,5,6,7-tetrahydroindazol-4-amine
CID 95778561
N-benzyl-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
CID 43247637
N-(1,3-benzodioxol-5-ylmethyl)-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
CID 43254628
(4S)-1-ethyl-N-[(4-methoxy-3-propoxyphenyl)methyl]-4,5,6,7-tetrahydroindazol-4-amine
CID 95778587
N-[[4-(dimethylamino)phenyl]methyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
CID 43247635
2-methoxy-6-[[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]methyl]phenol
CID 43727366

Frequently Asked Questions

What is the IUPAC name of (4R)-N-[(3,4-dimethoxyphenyl)methyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine?
The IUPAC name of (4R)-N-[(3,4-dimethoxyphenyl)methyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine (CID 38059936) is (4R)-N-[(3,4-dimethoxyphenyl)methyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine.
What is the SMILES notation for (4R)-N-[(3,4-dimethoxyphenyl)methyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine?
The canonical SMILES for (4R)-N-[(3,4-dimethoxyphenyl)methyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine is COc1ccc(CN[C@@H]2CCCc3c2cnn3C)cc1OC.
What is the InChIKey of (4R)-N-[(3,4-dimethoxyphenyl)methyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine?
The InChIKey is SMVQXWSDEXZMFY-CQSZACIVSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-20-15-6-4-5-14(13(15)11-19-20)18-10-12-7-8-16(21-2)17(9-12)22-3/h7-9,11,14,18H,4-6,10H2,1-3H3/t14-/m1/s1.
What are the key properties of (4R)-N-[(3,4-dimethoxyphenyl)methyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine?
(4R)-N-[(3,4-dimethoxyphenyl)methyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine has a molecular weight of 301.39 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-N-[(3,4-dimethoxyphenyl)methyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine is sourced from PubChem (CID 38059936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).