N-ethyl-1-(3-methoxyphenyl)-4,5,6,7-tetrahydroindazol-4-amine

C16H21N3O — CID 114797992

IUPACN-ethyl-1-(3-methoxyphenyl)-4,5,6,7-tetrahydroindazol-4-amine
SMILESCCNC1CCCc2c1cnn2-c1cccc(OC)c1
InChIInChI=1S/C16H21N3O/c1-3-17-15-8-5-9-16-14(15)11-18-19(16)12-6-4-7-13(10-12)20-2/h4,6-7,10-11,15,17H,3,5,8-9H2,1-2H3
InChIKeyPDIFRZOPYXWNPC-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.87
Rot. Bonds4

About N-ethyl-1-(3-methoxyphenyl)-4,5,6,7-tetrahydroindazol-4-amine

N-ethyl-1-(3-methoxyphenyl)-4,5,6,7-tetrahydroindazol-4-amine (PubChem CID 114797992) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is N-ethyl-1-(3-methoxyphenyl)-4,5,6,7-tetrahydroindazol-4-amine.

Molecular Properties

Compound NameN-ethyl-1-(3-methoxyphenyl)-4,5,6,7-tetrahydroindazol-4-amine
PubChem CID114797992
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC NameN-ethyl-1-(3-methoxyphenyl)-4,5,6,7-tetrahydroindazol-4-amine
SMILESCCNC1CCCc2c1cnn2-c1cccc(OC)c1
InChIInChI=1S/C16H21N3O/c1-3-17-15-8-5-9-16-14(15)11-18-19(16)12-6-4-7-13(10-12)20-2/h4,6-7,10-11,15,17H,3,5,8-9H2,1-2H3
InChIKeyPDIFRZOPYXWNPC-UHFFFAOYSA-N
XLogP2.87
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-bromophenyl)-N-ethyl-4,5,6,7-tetrahydroindazol-4-amine
CID 65356541
1-(4-methoxyphenyl)-N-propyl-4,5,6,7-tetrahydroindazol-4-amine
CID 65356554
1-(3,4-dichlorophenyl)-N-ethyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-4-amine
CID 107384328
N-ethyl-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-amine
CID 65356388
1-(2,6-dimethylpyrimidin-4-yl)-N-ethyl-4,5,6,7-tetrahydroindazol-4-amine
CID 79822222
1-(3,4-dimethylphenyl)-N-[[2-(4-methoxyphenyl)pyrimidin-5-yl]methyl]-4,5,6,7-tetrahydroindazol-4-amine
CID 45230968
N-ethyl-2-(3-methoxyphenyl)-5,6,7,8-tetrahydroquinazolin-5-amine
CID 62009305
3-methoxy-N-[(4S)-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-yl]benzamide
CID 95384794
2-(2,5-dimethoxyphenyl)-N-[(4R)-1-(3,5-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]acetamide
CID 42193500
(4R)-1-ethyl-N-[(4-methoxyphenyl)methyl]-4,5,6,7-tetrahydroindazol-4-amine
CID 95778666
4-methoxy-2-[[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]methyl]phenol
CID 43727317
4-[[[1-(2,3-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]amino]methyl]-2,6-dimethoxyphenol
CID 45180985

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(3-methoxyphenyl)-4,5,6,7-tetrahydroindazol-4-amine?
The IUPAC name of N-ethyl-1-(3-methoxyphenyl)-4,5,6,7-tetrahydroindazol-4-amine (CID 114797992) is N-ethyl-1-(3-methoxyphenyl)-4,5,6,7-tetrahydroindazol-4-amine.
What is the SMILES notation for N-ethyl-1-(3-methoxyphenyl)-4,5,6,7-tetrahydroindazol-4-amine?
The canonical SMILES for N-ethyl-1-(3-methoxyphenyl)-4,5,6,7-tetrahydroindazol-4-amine is CCNC1CCCc2c1cnn2-c1cccc(OC)c1.
What is the InChIKey of N-ethyl-1-(3-methoxyphenyl)-4,5,6,7-tetrahydroindazol-4-amine?
The InChIKey is PDIFRZOPYXWNPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-3-17-15-8-5-9-16-14(15)11-18-19(16)12-6-4-7-13(10-12)20-2/h4,6-7,10-11,15,17H,3,5,8-9H2,1-2H3.
What are the key properties of N-ethyl-1-(3-methoxyphenyl)-4,5,6,7-tetrahydroindazol-4-amine?
N-ethyl-1-(3-methoxyphenyl)-4,5,6,7-tetrahydroindazol-4-amine has a molecular weight of 271.36 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(3-methoxyphenyl)-4,5,6,7-tetrahydroindazol-4-amine is sourced from PubChem (CID 114797992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).