[1-(3-methylphenyl)-4,5,6,7-tetrahydroindazol-7-yl]methanamine

C15H19N3 — CID 115058144

IUPAC[1-(3-methylphenyl)-4,5,6,7-tetrahydroindazol-7-yl]methanamine
SMILESCc1cccc(-n2ncc3c2C(CN)CCC3)c1
InChIInChI=1S/C15H19N3/c1-11-4-2-7-14(8-11)18-15-12(9-16)5-3-6-13(15)10-17-18/h2,4,7-8,10,12H,3,5-6,9,16H2,1H3
InChIKeyNMZJPIMEHZRKTA-UHFFFAOYSA-N
MW241.34 g/mol
LogP2.56
Rot. Bonds2

About [1-(3-methylphenyl)-4,5,6,7-tetrahydroindazol-7-yl]methanamine

[1-(3-methylphenyl)-4,5,6,7-tetrahydroindazol-7-yl]methanamine (PubChem CID 115058144) has the molecular formula C15H19N3 and a molecular weight of 241.34 g/mol. Its IUPAC name is [1-(3-methylphenyl)-4,5,6,7-tetrahydroindazol-7-yl]methanamine.

Molecular Properties

Compound Name[1-(3-methylphenyl)-4,5,6,7-tetrahydroindazol-7-yl]methanamine
PubChem CID115058144
Molecular FormulaC15H19N3
Molecular Weight241.34 g/mol
Exact Mass241.16
IUPAC Name[1-(3-methylphenyl)-4,5,6,7-tetrahydroindazol-7-yl]methanamine
SMILESCc1cccc(-n2ncc3c2C(CN)CCC3)c1
InChIInChI=1S/C15H19N3/c1-11-4-2-7-14(8-11)18-15-12(9-16)5-3-6-13(15)10-17-18/h2,4,7-8,10,12H,3,5-6,9,16H2,1H3
InChIKeyNMZJPIMEHZRKTA-UHFFFAOYSA-N
XLogP2.56
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-phenyl-4,5,6,7-tetrahydroindazol-7-amine
CID 83892917
5-cyclohexyl-1-(3-methylphenyl)pyrazole-4-carboxylic acid
CID 82361438
N-[[5-cyclopropyl-1-(3-methylphenyl)pyrazol-4-yl]methyl]propan-1-amine
CID 66442486
3-[4-(aminomethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]phenol
CID 83861544
1-[5-cyclobutyl-1-(3-methylphenyl)pyrazol-4-yl]piperazine
CID 117210663
1-[5-methyl-1-(3-methylphenyl)pyrazol-4-yl]ethanamine
CID 43209034
5-cyclobutyl-1-(3-methylphenyl)triazol-4-amine
CID 105485940
3-[5-bromo-1-(3-methylphenyl)pyrazol-4-yl]propan-1-amine
CID 115053250
(3bS,8bR)-3,8-diphenyl-3b,4,5,8b,9,10-hexahydroindazolo[7,6-g]indazole
CID 90673957
5-iodo-2-(3-methylphenyl)pyridazin-3-one
CID 24997710
5-(aminomethyl)-1-(3-methylphenyl)pyrrolidin-2-one
CID 82506704
2-[1,3-bis(3-methylphenyl)-3a,4,5,6,7,7a-hexahydrobenzimidazol-2-ylidene]-1,3-bis(3-methylphenyl)-3a,4,5,6,7,7a-hexahydrobenzimidazole
CID 118135713

Frequently Asked Questions

What is the IUPAC name of [1-(3-methylphenyl)-4,5,6,7-tetrahydroindazol-7-yl]methanamine?
The IUPAC name of [1-(3-methylphenyl)-4,5,6,7-tetrahydroindazol-7-yl]methanamine (CID 115058144) is [1-(3-methylphenyl)-4,5,6,7-tetrahydroindazol-7-yl]methanamine.
What is the SMILES notation for [1-(3-methylphenyl)-4,5,6,7-tetrahydroindazol-7-yl]methanamine?
The canonical SMILES for [1-(3-methylphenyl)-4,5,6,7-tetrahydroindazol-7-yl]methanamine is Cc1cccc(-n2ncc3c2C(CN)CCC3)c1.
What is the InChIKey of [1-(3-methylphenyl)-4,5,6,7-tetrahydroindazol-7-yl]methanamine?
The InChIKey is NMZJPIMEHZRKTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3/c1-11-4-2-7-14(8-11)18-15-12(9-16)5-3-6-13(15)10-17-18/h2,4,7-8,10,12H,3,5-6,9,16H2,1H3.
What are the key properties of [1-(3-methylphenyl)-4,5,6,7-tetrahydroindazol-7-yl]methanamine?
[1-(3-methylphenyl)-4,5,6,7-tetrahydroindazol-7-yl]methanamine has a molecular weight of 241.34 g/mol, XLogP of 2.56, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-methylphenyl)-4,5,6,7-tetrahydroindazol-7-yl]methanamine is sourced from PubChem (CID 115058144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).