5-(4-methyl-2-nitrophenyl)-1H-pyrazol-3-amine

C10H10N4O2 — CID 174229984

IUPAC5-(4-methyl-2-nitrophenyl)-1H-pyrazol-3-amine
SMILESCc1ccc(-c2cc(N)n[nH]2)c([N+](=O)[O-])c1
InChIInChI=1S/C10H10N4O2/c1-6-2-3-7(9(4-6)14(15)16)8-5-10(11)13-12-8/h2-5H,1H3,(H3,11,12,13)
InChIKeyJMVGBPXQVAHIEX-UHFFFAOYSA-N
MW218.22 g/mol
LogP1.88
Rot. Bonds2

About 5-(4-methyl-2-nitrophenyl)-1H-pyrazol-3-amine

5-(4-methyl-2-nitrophenyl)-1H-pyrazol-3-amine (PubChem CID 174229984) has the molecular formula C10H10N4O2 and a molecular weight of 218.22 g/mol. Its IUPAC name is 5-(4-methyl-2-nitrophenyl)-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-(4-methyl-2-nitrophenyl)-1H-pyrazol-3-amine
PubChem CID174229984
Molecular FormulaC10H10N4O2
Molecular Weight218.22 g/mol
Exact Mass218.08
IUPAC Name5-(4-methyl-2-nitrophenyl)-1H-pyrazol-3-amine
SMILESCc1ccc(-c2cc(N)n[nH]2)c([N+](=O)[O-])c1
InChIInChI=1S/C10H10N4O2/c1-6-2-3-7(9(4-6)14(15)16)8-5-10(11)13-12-8/h2-5H,1H3,(H3,11,12,13)
InChIKeyJMVGBPXQVAHIEX-UHFFFAOYSA-N
XLogP1.88
TPSA97.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.22
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(2-methoxy-4-nitrophenyl)-1H-pyrazol-3-amine
CID 113452627
1-(4-fluorophenyl)-4-methyl-2-nitrobenzene
CID 46314619
2-(4-methyl-2-nitrophenyl)-1H-imidazole
CID 67618498
5-methyl-3-(4-methyl-2-nitrophenyl)sulfanyl-1H-1,2,4-triazole
CID 56772659
4-methyl-2-nitrophenolate
CID 6989903
sodium 4-methyl-2-nitrophenolate
CID 12989561
1,4-dimethyl-2-nitrobenzene
CID 20849377
5-(5-methyl-2-piperidin-1-ylphenyl)-1H-pyrazol-3-amine
CID 117394600
2-aminoethanol;4-methyl-2-nitroaniline
CID 22061887
5-methyl-1-(4-methyl-2-nitrophenyl)pyrazol-3-amine
CID 50999986
4-(3-amino-1H-pyrazol-5-yl)-2,3-dimethylphenol
CID 136998614
3-methylsulfanyl-5-(2-nitrophenyl)-1H-pyrazole
CID 21271858

Frequently Asked Questions

What is the IUPAC name of 5-(4-methyl-2-nitrophenyl)-1H-pyrazol-3-amine?
The IUPAC name of 5-(4-methyl-2-nitrophenyl)-1H-pyrazol-3-amine (CID 174229984) is 5-(4-methyl-2-nitrophenyl)-1H-pyrazol-3-amine.
What is the SMILES notation for 5-(4-methyl-2-nitrophenyl)-1H-pyrazol-3-amine?
The canonical SMILES for 5-(4-methyl-2-nitrophenyl)-1H-pyrazol-3-amine is Cc1ccc(-c2cc(N)n[nH]2)c([N+](=O)[O-])c1.
What is the InChIKey of 5-(4-methyl-2-nitrophenyl)-1H-pyrazol-3-amine?
The InChIKey is JMVGBPXQVAHIEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O2/c1-6-2-3-7(9(4-6)14(15)16)8-5-10(11)13-12-8/h2-5H,1H3,(H3,11,12,13).
What are the key properties of 5-(4-methyl-2-nitrophenyl)-1H-pyrazol-3-amine?
5-(4-methyl-2-nitrophenyl)-1H-pyrazol-3-amine has a molecular weight of 218.22 g/mol, XLogP of 1.88, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methyl-2-nitrophenyl)-1H-pyrazol-3-amine is sourced from PubChem (CID 174229984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).