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

C11H12N4O2 — CID 79779512

IUPAC1-methyl-N-(4-methyl-3-nitrophenyl)pyrazol-3-amine
SMILESCc1ccc(Nc2ccn(C)n2)cc1[N+](=O)[O-]
InChIInChI=1S/C11H12N4O2/c1-8-3-4-9(7-10(8)15(16)17)12-11-5-6-14(2)13-11/h3-7H,1-2H3,(H,12,13)
InChIKeyYWRAFRGIQBXQCO-UHFFFAOYSA-N
MW232.24 g/mol
LogP2.38
Rot. Bonds3

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

1-methyl-N-(4-methyl-3-nitrophenyl)pyrazol-3-amine (PubChem CID 79779512) has the molecular formula C11H12N4O2 and a molecular weight of 232.24 g/mol. Its IUPAC name is 1-methyl-N-(4-methyl-3-nitrophenyl)pyrazol-3-amine.

Molecular Properties

Compound Name1-methyl-N-(4-methyl-3-nitrophenyl)pyrazol-3-amine
PubChem CID79779512
Molecular FormulaC11H12N4O2
Molecular Weight232.24 g/mol
Exact Mass232.10
IUPAC Name1-methyl-N-(4-methyl-3-nitrophenyl)pyrazol-3-amine
SMILESCc1ccc(Nc2ccn(C)n2)cc1[N+](=O)[O-]
InChIInChI=1S/C11H12N4O2/c1-8-3-4-9(7-10(8)15(16)17)12-11-5-6-14(2)13-11/h3-7H,1-2H3,(H,12,13)
InChIKeyYWRAFRGIQBXQCO-UHFFFAOYSA-N
XLogP2.38
TPSA72.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 52.38
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

5-methyl-N-(1-methylpyrazol-3-yl)-4-nitropyridin-2-amine
CID 83266661
4-methyl-N-[2-[(1-methylpyrazol-3-yl)amino]-2-oxoethyl]-3-nitrobenzamide
CID 16962883
N-(3-fluoro-5-nitrophenyl)-1-methylpyrazol-3-amine
CID 79779709
N-(4-fluoro-2-nitrophenyl)-1-methylpyrazol-3-amine
CID 115574116
5-bromo-6-methyl-N-(4-methyl-3-nitrophenyl)pyridin-2-amine
CID 114047534
4-methyl-N-(2-methyl-5-nitrophenyl)-3-nitroaniline
CID 170118098
N-(1-methylpyrazol-3-yl)-5-nitropyrimidin-2-amine
CID 79779100
N-(2-chloro-6-nitrophenyl)-1-methylpyrazol-3-amine
CID 79778291
4-methyl-N-(1-methylpyrazol-3-yl)-3-nitropyridin-2-amine
CID 79778692
2-methyl-N-(1-methylpyrazol-3-yl)-6-nitro-1,3-benzothiazol-5-amine
CID 79781355
N-(3-iodo-4-nitrophenyl)-1,5-dimethylpyrazol-3-amine
CID 114253810
2-N-(1-methylpyrazol-3-yl)-3-nitro-6-N-propylpyridine-2,6-diamine
CID 80849234

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(4-methyl-3-nitrophenyl)pyrazol-3-amine?
The IUPAC name of 1-methyl-N-(4-methyl-3-nitrophenyl)pyrazol-3-amine (CID 79779512) is 1-methyl-N-(4-methyl-3-nitrophenyl)pyrazol-3-amine.
What is the SMILES notation for 1-methyl-N-(4-methyl-3-nitrophenyl)pyrazol-3-amine?
The canonical SMILES for 1-methyl-N-(4-methyl-3-nitrophenyl)pyrazol-3-amine is Cc1ccc(Nc2ccn(C)n2)cc1[N+](=O)[O-].
What is the InChIKey of 1-methyl-N-(4-methyl-3-nitrophenyl)pyrazol-3-amine?
The InChIKey is YWRAFRGIQBXQCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O2/c1-8-3-4-9(7-10(8)15(16)17)12-11-5-6-14(2)13-11/h3-7H,1-2H3,(H,12,13).
What are the key properties of 1-methyl-N-(4-methyl-3-nitrophenyl)pyrazol-3-amine?
1-methyl-N-(4-methyl-3-nitrophenyl)pyrazol-3-amine has a molecular weight of 232.24 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(4-methyl-3-nitrophenyl)pyrazol-3-amine is sourced from PubChem (CID 79779512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).