4-methyl-1-(2-methyl-3-nitrophenyl)pyrazol-3-amine

C11H12N4O2 — CID 102942641

IUPAC4-methyl-1-(2-methyl-3-nitrophenyl)pyrazol-3-amine
SMILESCc1cn(-c2cccc([N+](=O)[O-])c2C)nc1N
InChIInChI=1S/C11H12N4O2/c1-7-6-14(13-11(7)12)9-4-3-5-10(8(9)2)15(16)17/h3-6H,1-2H3,(H2,12,13)
InChIKeyWVIJDDHDBNBQGC-UHFFFAOYSA-N
MW232.24 g/mol
LogP1.98
Rot. Bonds2

About 4-methyl-1-(2-methyl-3-nitrophenyl)pyrazol-3-amine

4-methyl-1-(2-methyl-3-nitrophenyl)pyrazol-3-amine (PubChem CID 102942641) has the molecular formula C11H12N4O2 and a molecular weight of 232.24 g/mol. Its IUPAC name is 4-methyl-1-(2-methyl-3-nitrophenyl)pyrazol-3-amine.

Molecular Properties

Compound Name4-methyl-1-(2-methyl-3-nitrophenyl)pyrazol-3-amine
PubChem CID102942641
Molecular FormulaC11H12N4O2
Molecular Weight232.24 g/mol
Exact Mass232.10
IUPAC Name4-methyl-1-(2-methyl-3-nitrophenyl)pyrazol-3-amine
SMILESCc1cn(-c2cccc([N+](=O)[O-])c2C)nc1N
InChIInChI=1S/C11H12N4O2/c1-7-6-14(13-11(7)12)9-4-3-5-10(8(9)2)15(16)17/h3-6H,1-2H3,(H2,12,13)
InChIKeyWVIJDDHDBNBQGC-UHFFFAOYSA-N
XLogP1.98
TPSA86.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 51.98
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-(2-chloro-6-nitrophenyl)-4-methylpyrazol-3-amine
CID 102943145
5-methyl-1-(2-methyl-3-nitrophenyl)-4-oxopyridazine-3-carboxylic acid
CID 63981948
1-(2-chloro-4-nitrophenyl)-4-methylpyrazol-3-amine
CID 102942629
1-(3-fluoro-4-nitrophenyl)-4-methylpyrazol-3-amine
CID 102943044
1-(2-ethylphenyl)-4-methylpyrazol-3-amine
CID 102942323
3-[1-(2-methyl-3-nitrophenyl)triazol-4-yl]propan-1-amine
CID 106220510
4-(1-bromoethyl)-1-(2-methyl-3-nitrophenyl)triazole
CID 81445129
methyl 5-amino-1-(2-methyl-3-nitrophenyl)imidazole-4-carboxylate
CID 107810117
3-amino-1-(2-methyl-3-nitrophenyl)azetidin-2-one
CID 107810731
4-methyl-1-(5,6,7,8-tetrahydronaphthalen-1-yl)pyrazol-3-amine
CID 102942316
3-methyl-4-nitropyridin-2-amine
CID 19758038
3-[1-(2-methyl-3-nitrophenyl)triazol-4-yl]propanoic acid
CID 107460470

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(2-methyl-3-nitrophenyl)pyrazol-3-amine?
The IUPAC name of 4-methyl-1-(2-methyl-3-nitrophenyl)pyrazol-3-amine (CID 102942641) is 4-methyl-1-(2-methyl-3-nitrophenyl)pyrazol-3-amine.
What is the SMILES notation for 4-methyl-1-(2-methyl-3-nitrophenyl)pyrazol-3-amine?
The canonical SMILES for 4-methyl-1-(2-methyl-3-nitrophenyl)pyrazol-3-amine is Cc1cn(-c2cccc([N+](=O)[O-])c2C)nc1N.
What is the InChIKey of 4-methyl-1-(2-methyl-3-nitrophenyl)pyrazol-3-amine?
The InChIKey is WVIJDDHDBNBQGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O2/c1-7-6-14(13-11(7)12)9-4-3-5-10(8(9)2)15(16)17/h3-6H,1-2H3,(H2,12,13).
What are the key properties of 4-methyl-1-(2-methyl-3-nitrophenyl)pyrazol-3-amine?
4-methyl-1-(2-methyl-3-nitrophenyl)pyrazol-3-amine has a molecular weight of 232.24 g/mol, XLogP of 1.98, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(2-methyl-3-nitrophenyl)pyrazol-3-amine is sourced from PubChem (CID 102942641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).