1-methyl-N-(2-methyl-4-nitrophenyl)-4,5,6,7-tetrahydroindazol-4-amine

C15H18N4O2 — CID 43719996

IUPAC1-methyl-N-(2-methyl-4-nitrophenyl)-4,5,6,7-tetrahydroindazol-4-amine
SMILESCc1cc([N+](=O)[O-])ccc1NC1CCCc2c1cnn2C
InChIInChI=1S/C15H18N4O2/c1-10-8-11(19(20)21)6-7-13(10)17-14-4-3-5-15-12(14)9-16-18(15)2/h6-9,14,17H,3-5H2,1-2H3
InChIKeyYEJQFAZYRQCVGJ-UHFFFAOYSA-N
MW286.34 g/mol
LogP3.13
Rot. Bonds3

About 1-methyl-N-(2-methyl-4-nitrophenyl)-4,5,6,7-tetrahydroindazol-4-amine

1-methyl-N-(2-methyl-4-nitrophenyl)-4,5,6,7-tetrahydroindazol-4-amine (PubChem CID 43719996) has the molecular formula C15H18N4O2 and a molecular weight of 286.34 g/mol. Its IUPAC name is 1-methyl-N-(2-methyl-4-nitrophenyl)-4,5,6,7-tetrahydroindazol-4-amine.

Molecular Properties

Compound Name1-methyl-N-(2-methyl-4-nitrophenyl)-4,5,6,7-tetrahydroindazol-4-amine
PubChem CID43719996
Molecular FormulaC15H18N4O2
Molecular Weight286.34 g/mol
Exact Mass286.14
IUPAC Name1-methyl-N-(2-methyl-4-nitrophenyl)-4,5,6,7-tetrahydroindazol-4-amine
SMILESCc1cc([N+](=O)[O-])ccc1NC1CCCc2c1cnn2C
InChIInChI=1S/C15H18N4O2/c1-10-8-11(19(20)21)6-7-13(10)17-14-4-3-5-15-12(14)9-16-18(15)2/h6-9,14,17H,3-5H2,1-2H3
InChIKeyYEJQFAZYRQCVGJ-UHFFFAOYSA-N
XLogP3.13
TPSA72.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[4-[[(4S)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]amino]-3-nitrophenyl]ethanone
CID 32874382
N-(2-methyl-4-nitrophenyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 43719937
1-methyl-N-(4-methyl-3-pyridinyl)-4,5,6,7-tetrahydroindazol-4-amine
CID 63329281
5-bromo-2-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]benzonitrile
CID 82708654
N-(2,4-difluorophenyl)-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
CID 43254589
N-(4-chloro-2-fluorophenyl)-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
CID 43716682
N-(2-bromo-4-fluorophenyl)-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
CID 43254693
1-[(4S)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]-3-[(3-nitrophenyl)methyl]urea
CID 95192160
4-fluoro-N-(2-methyl-4-nitrophenyl)-2,3-dihydro-1H-inden-1-amine
CID 83065489
N-(2-iodophenyl)-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
CID 43254701
N-(2-chlorophenyl)-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
CID 43254584
1-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]-3-[(1R)-1-(3-nitrophenyl)ethyl]urea
CID 97021089

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(2-methyl-4-nitrophenyl)-4,5,6,7-tetrahydroindazol-4-amine?
The IUPAC name of 1-methyl-N-(2-methyl-4-nitrophenyl)-4,5,6,7-tetrahydroindazol-4-amine (CID 43719996) is 1-methyl-N-(2-methyl-4-nitrophenyl)-4,5,6,7-tetrahydroindazol-4-amine.
What is the SMILES notation for 1-methyl-N-(2-methyl-4-nitrophenyl)-4,5,6,7-tetrahydroindazol-4-amine?
The canonical SMILES for 1-methyl-N-(2-methyl-4-nitrophenyl)-4,5,6,7-tetrahydroindazol-4-amine is Cc1cc([N+](=O)[O-])ccc1NC1CCCc2c1cnn2C.
What is the InChIKey of 1-methyl-N-(2-methyl-4-nitrophenyl)-4,5,6,7-tetrahydroindazol-4-amine?
The InChIKey is YEJQFAZYRQCVGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-10-8-11(19(20)21)6-7-13(10)17-14-4-3-5-15-12(14)9-16-18(15)2/h6-9,14,17H,3-5H2,1-2H3.
What are the key properties of 1-methyl-N-(2-methyl-4-nitrophenyl)-4,5,6,7-tetrahydroindazol-4-amine?
1-methyl-N-(2-methyl-4-nitrophenyl)-4,5,6,7-tetrahydroindazol-4-amine has a molecular weight of 286.34 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(2-methyl-4-nitrophenyl)-4,5,6,7-tetrahydroindazol-4-amine is sourced from PubChem (CID 43719996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).