N-ethyl-1-[(2-methylphenyl)methyl]-4,5,6,7-tetrahydroindazol-4-amine

C17H23N3 — CID 65356697

IUPACN-ethyl-1-[(2-methylphenyl)methyl]-4,5,6,7-tetrahydroindazol-4-amine
SMILESCCNC1CCCc2c1cnn2Cc1ccccc1C
InChIInChI=1S/C17H23N3/c1-3-18-16-9-6-10-17-15(16)11-19-20(17)12-14-8-5-4-7-13(14)2/h4-5,7-8,11,16,18H,3,6,9-10,12H2,1-2H3
InChIKeyIOZSERQKNHXXDN-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.23
Rot. Bonds4

About N-ethyl-1-[(2-methylphenyl)methyl]-4,5,6,7-tetrahydroindazol-4-amine

N-ethyl-1-[(2-methylphenyl)methyl]-4,5,6,7-tetrahydroindazol-4-amine (PubChem CID 65356697) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is N-ethyl-1-[(2-methylphenyl)methyl]-4,5,6,7-tetrahydroindazol-4-amine.

Molecular Properties

Compound NameN-ethyl-1-[(2-methylphenyl)methyl]-4,5,6,7-tetrahydroindazol-4-amine
PubChem CID65356697
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC NameN-ethyl-1-[(2-methylphenyl)methyl]-4,5,6,7-tetrahydroindazol-4-amine
SMILESCCNC1CCCc2c1cnn2Cc1ccccc1C
InChIInChI=1S/C17H23N3/c1-3-18-16-9-6-10-17-15(16)11-19-20(17)12-14-8-5-4-7-13(14)2/h4-5,7-8,11,16,18H,3,6,9-10,12H2,1-2H3
InChIKeyIOZSERQKNHXXDN-UHFFFAOYSA-N
XLogP3.23
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(dimethylamino)ethyl]-N-ethyl-4,5,6,7-tetrahydroindazol-4-amine
CID 65356648
N-ethyl-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-amine
CID 65356388
(4S)-1-benzyl-N-[(3-methylphenyl)methyl]-4,5,6,7-tetrahydroindazol-4-amine
CID 34543294
(4R)-1-ethyl-N-(pyridin-2-ylmethyl)-4,5,6,7-tetrahydroindazol-4-amine
CID 95778690
1-[(4-chlorophenyl)methyl]-N-propyl-4,5,6,7-tetrahydroindazol-4-amine
CID 65356370
1-benzyl-N-[(1-methylpyrazol-4-yl)methyl]-4,5,6,7-tetrahydroindazol-4-amine
CID 86772207
1-[(2-methylphenyl)methyl]-5,6,7,8-tetrahydrocyclohepta[d]pyrazol-4-one
CID 107384235
N-[(4S)-1-[(2-methoxyphenyl)methyl]-4,5,6,7-tetrahydroindazol-4-yl]cyclohexanecarboxamide
CID 92602078
N-[(4S)-1-benzyl-4,5,6,7-tetrahydroindazol-4-yl]-2-(2-hydroxyphenyl)acetamide
CID 52513366
1-(3-bromophenyl)-N-ethyl-4,5,6,7-tetrahydroindazol-4-amine
CID 65356541
N-(2-ethyl-6-methylphenyl)-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
CID 60924897
N-ethyl-1-(3-methoxyphenyl)-4,5,6,7-tetrahydroindazol-4-amine
CID 114797992

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[(2-methylphenyl)methyl]-4,5,6,7-tetrahydroindazol-4-amine?
The IUPAC name of N-ethyl-1-[(2-methylphenyl)methyl]-4,5,6,7-tetrahydroindazol-4-amine (CID 65356697) is N-ethyl-1-[(2-methylphenyl)methyl]-4,5,6,7-tetrahydroindazol-4-amine.
What is the SMILES notation for N-ethyl-1-[(2-methylphenyl)methyl]-4,5,6,7-tetrahydroindazol-4-amine?
The canonical SMILES for N-ethyl-1-[(2-methylphenyl)methyl]-4,5,6,7-tetrahydroindazol-4-amine is CCNC1CCCc2c1cnn2Cc1ccccc1C.
What is the InChIKey of N-ethyl-1-[(2-methylphenyl)methyl]-4,5,6,7-tetrahydroindazol-4-amine?
The InChIKey is IOZSERQKNHXXDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3/c1-3-18-16-9-6-10-17-15(16)11-19-20(17)12-14-8-5-4-7-13(14)2/h4-5,7-8,11,16,18H,3,6,9-10,12H2,1-2H3.
What are the key properties of N-ethyl-1-[(2-methylphenyl)methyl]-4,5,6,7-tetrahydroindazol-4-amine?
N-ethyl-1-[(2-methylphenyl)methyl]-4,5,6,7-tetrahydroindazol-4-amine has a molecular weight of 269.39 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[(2-methylphenyl)methyl]-4,5,6,7-tetrahydroindazol-4-amine is sourced from PubChem (CID 65356697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).