3-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-N-methylaniline

C16H21N3 — CID 144999929

IUPAC3-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-N-methylaniline
SMILESCNc1cccc(-c2n[nH]c3c2CCC(C)(C)C3)c1
InChIInChI=1S/C16H21N3/c1-16(2)8-7-13-14(10-16)18-19-15(13)11-5-4-6-12(9-11)17-3/h4-6,9,17H,7-8,10H2,1-3H3,(H,18,19)
InChIKeyXBMHUGGXWHQWJP-UHFFFAOYSA-N
MW255.37 g/mol
LogP3.63
Rot. Bonds2

About 3-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-N-methylaniline

3-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-N-methylaniline (PubChem CID 144999929) has the molecular formula C16H21N3 and a molecular weight of 255.37 g/mol. Its IUPAC name is 3-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-N-methylaniline.

Molecular Properties

Compound Name3-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-N-methylaniline
PubChem CID144999929
Molecular FormulaC16H21N3
Molecular Weight255.37 g/mol
Exact Mass255.17
IUPAC Name3-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-N-methylaniline
SMILESCNc1cccc(-c2n[nH]c3c2CCC(C)(C)C3)c1
InChIInChI=1S/C16H21N3/c1-16(2)8-7-13-14(10-16)18-19-15(13)11-5-4-6-12(9-11)17-3/h4-6,9,17H,7-8,10H2,1-3H3,(H,18,19)
InChIKeyXBMHUGGXWHQWJP-UHFFFAOYSA-N
XLogP3.63
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.37
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)phenyl]-3-ethylurea
CID 144999837
N-[3-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)phenyl]pyrrolidine-1-carboxamide
CID 144999809
1-[(3-cyanophenyl)methyl]-3-[3-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)phenyl]urea
CID 145000621
4-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-6-(methylamino)pyridine-2-carbaldehyde
CID 145000491
5-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-2,3-dihydroisoindol-1-one
CID 144999746
5-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-1-methylpyrrolo[2,3-b]pyridine
CID 145000696
3-(4,4-dimethylcyclohexen-1-yl)-N-methylaniline
CID 156557152
6-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-N-methylimidazo[1,2-a]pyridine-2-carboxamide
CID 144999961
4-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-6-fluoro-N-[[1-(3-fluoro-2-pyridinyl)cyclopropyl]methyl]pyridin-2-amine
CID 145000474
N-[[2-(dimethylamino)phenyl]methyl]-4-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-6-fluoropyridin-2-amine
CID 145000513
4-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-6-fluoro-N-[(5-methylpyrazin-2-yl)methyl]pyridin-2-amine
CID 144999873
4-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-6-fluoro-N-(2-pyridin-4-ylethyl)pyridin-2-amine
CID 144999777

Frequently Asked Questions

What is the IUPAC name of 3-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-N-methylaniline?
The IUPAC name of 3-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-N-methylaniline (CID 144999929) is 3-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-N-methylaniline.
What is the SMILES notation for 3-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-N-methylaniline?
The canonical SMILES for 3-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-N-methylaniline is CNc1cccc(-c2n[nH]c3c2CCC(C)(C)C3)c1.
What is the InChIKey of 3-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-N-methylaniline?
The InChIKey is XBMHUGGXWHQWJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-16(2)8-7-13-14(10-16)18-19-15(13)11-5-4-6-12(9-11)17-3/h4-6,9,17H,7-8,10H2,1-3H3,(H,18,19).
What are the key properties of 3-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-N-methylaniline?
3-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-N-methylaniline has a molecular weight of 255.37 g/mol, XLogP of 3.63, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-N-methylaniline is sourced from PubChem (CID 144999929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).