2-[4-(aminomethyl)-3-phenyl-4,5,6,7-tetrahydroindazol-1-yl]-N,N-dimethylethanamine

C18H26N4 — CID 82593412

IUPAC2-[4-(aminomethyl)-3-phenyl-4,5,6,7-tetrahydroindazol-1-yl]-N,N-dimethylethanamine
SMILESCN(C)CCn1nc(-c2ccccc2)c2c1CCCC2CN
InChIInChI=1S/C18H26N4/c1-21(2)11-12-22-16-10-6-9-15(13-19)17(16)18(20-22)14-7-4-3-5-8-14/h3-5,7-8,15H,6,9-13,19H2,1-2H3
InChIKeyIVJFBCOGVSIBBK-UHFFFAOYSA-N
MW298.43 g/mol
LogP2.49
Rot. Bonds5

About 2-[4-(aminomethyl)-3-phenyl-4,5,6,7-tetrahydroindazol-1-yl]-N,N-dimethylethanamine

2-[4-(aminomethyl)-3-phenyl-4,5,6,7-tetrahydroindazol-1-yl]-N,N-dimethylethanamine (PubChem CID 82593412) has the molecular formula C18H26N4 and a molecular weight of 298.43 g/mol. Its IUPAC name is 2-[4-(aminomethyl)-3-phenyl-4,5,6,7-tetrahydroindazol-1-yl]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[4-(aminomethyl)-3-phenyl-4,5,6,7-tetrahydroindazol-1-yl]-N,N-dimethylethanamine
PubChem CID82593412
Molecular FormulaC18H26N4
Molecular Weight298.43 g/mol
Exact Mass298.22
IUPAC Name2-[4-(aminomethyl)-3-phenyl-4,5,6,7-tetrahydroindazol-1-yl]-N,N-dimethylethanamine
SMILESCN(C)CCn1nc(-c2ccccc2)c2c1CCCC2CN
InChIInChI=1S/C18H26N4/c1-21(2)11-12-22-16-10-6-9-15(13-19)17(16)18(20-22)14-7-4-3-5-8-14/h3-5,7-8,15H,6,9-13,19H2,1-2H3
InChIKeyIVJFBCOGVSIBBK-UHFFFAOYSA-N
XLogP2.49
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1-tert-butyl-3-phenyl-4,5,6,7-tetrahydroindazol-4-yl)methanamine
CID 82593416
2-[4-(aminomethyl)-3-propan-2-yl-4,5,6,7-tetrahydroindazol-1-yl]-N,N-dimethylethanamine
CID 82593304
3-(4-amino-3-phenyl-4,5,6,7-tetrahydroindazol-1-yl)propanenitrile
CID 82592446
N,N-dimethyl-2-(3-phenylindazol-1-yl)ethanamine;hydrochloride
CID 12819464
2-[4-(aminomethyl)-3-ethyl-4,5,6,7-tetrahydroindazol-1-yl]ethanol
CID 82593218
2-[4-(aminomethyl)-3-cyclopropyl-4,5,6,7-tetrahydroindazol-1-yl]ethanol
CID 82593270
3-[4-amino-3-(3-aminophenyl)-4,5,6,7-tetrahydroindazol-1-yl]propanoic acid
CID 82592276
(1,3-dimethyl-4,5,6,7-tetrahydroindazol-4-yl)methanamine
CID 82593140
[5-chloro-1-[2-(dimethylamino)ethyl]-3-phenylpyrazol-4-yl]methanol
CID 62687699
2-[1-(2-amino-2-oxoethyl)-3-pyridin-3-yl-4,5,6,7-tetrahydroindazol-4-yl]acetic acid
CID 82591315
2-(5-chloro-3-phenylindazol-1-yl)-N,N-dimethylethanamine
CID 12819465
2-[1-[3-(dimethylamino)propyl]-3-ethyl-4,5,6,7-tetrahydroindazol-4-yl]acetic acid
CID 82591371

Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)-3-phenyl-4,5,6,7-tetrahydroindazol-1-yl]-N,N-dimethylethanamine?
The IUPAC name of 2-[4-(aminomethyl)-3-phenyl-4,5,6,7-tetrahydroindazol-1-yl]-N,N-dimethylethanamine (CID 82593412) is 2-[4-(aminomethyl)-3-phenyl-4,5,6,7-tetrahydroindazol-1-yl]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[4-(aminomethyl)-3-phenyl-4,5,6,7-tetrahydroindazol-1-yl]-N,N-dimethylethanamine?
The canonical SMILES for 2-[4-(aminomethyl)-3-phenyl-4,5,6,7-tetrahydroindazol-1-yl]-N,N-dimethylethanamine is CN(C)CCn1nc(-c2ccccc2)c2c1CCCC2CN.
What is the InChIKey of 2-[4-(aminomethyl)-3-phenyl-4,5,6,7-tetrahydroindazol-1-yl]-N,N-dimethylethanamine?
The InChIKey is IVJFBCOGVSIBBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4/c1-21(2)11-12-22-16-10-6-9-15(13-19)17(16)18(20-22)14-7-4-3-5-8-14/h3-5,7-8,15H,6,9-13,19H2,1-2H3.
What are the key properties of 2-[4-(aminomethyl)-3-phenyl-4,5,6,7-tetrahydroindazol-1-yl]-N,N-dimethylethanamine?
2-[4-(aminomethyl)-3-phenyl-4,5,6,7-tetrahydroindazol-1-yl]-N,N-dimethylethanamine has a molecular weight of 298.43 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethyl)-3-phenyl-4,5,6,7-tetrahydroindazol-1-yl]-N,N-dimethylethanamine is sourced from PubChem (CID 82593412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).