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

C12H14N4O2 — CID 61292087

IUPAC4-ethyl-5-(2-methyl-5-nitrophenyl)-1H-pyrazol-3-amine
SMILESCCc1c(N)n[nH]c1-c1cc([N+](=O)[O-])ccc1C
InChIInChI=1S/C12H14N4O2/c1-3-9-11(14-15-12(9)13)10-6-8(16(17)18)5-4-7(10)2/h4-6H,3H2,1-2H3,(H3,13,14,15)
InChIKeyPLSXYUUMRJEURO-UHFFFAOYSA-N
MW246.27 g/mol
LogP2.44
Rot. Bonds3

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

4-ethyl-5-(2-methyl-5-nitrophenyl)-1H-pyrazol-3-amine (PubChem CID 61292087) has the molecular formula C12H14N4O2 and a molecular weight of 246.27 g/mol. Its IUPAC name is 4-ethyl-5-(2-methyl-5-nitrophenyl)-1H-pyrazol-3-amine.

Molecular Properties

Compound Name4-ethyl-5-(2-methyl-5-nitrophenyl)-1H-pyrazol-3-amine
PubChem CID61292087
Molecular FormulaC12H14N4O2
Molecular Weight246.27 g/mol
Exact Mass246.11
IUPAC Name4-ethyl-5-(2-methyl-5-nitrophenyl)-1H-pyrazol-3-amine
SMILESCCc1c(N)n[nH]c1-c1cc([N+](=O)[O-])ccc1C
InChIInChI=1S/C12H14N4O2/c1-3-9-11(14-15-12(9)13)10-6-8(16(17)18)5-4-7(10)2/h4-6H,3H2,1-2H3,(H3,13,14,15)
InChIKeyPLSXYUUMRJEURO-UHFFFAOYSA-N
XLogP2.44
TPSA97.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 52.44
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

4-ethyl-5-(5-fluoro-2-nitrophenyl)-1H-pyrazol-3-amine
CID 60877526
4-ethyl-3-(2-methyl-5-nitrophenyl)-1,2-oxazol-5-amine
CID 61290377
2-(5-ethyl-1H-1,2,4-triazol-3-yl)-4-nitroaniline
CID 61279765
5-(2,3-dimethylphenyl)-4-ethyl-1H-pyrazol-3-amine
CID 43670611
3-amino-4-ethyl-5-(2-methyl-5-nitrophenyl)thiophene-2-carboxylic acid
CID 83035299
2-(5-ethyl-1H-1,2,4-triazol-3-yl)-5-nitroaniline
CID 63111008
N-[[5-(2-methyl-5-nitrophenyl)-1H-pyrazol-4-yl]methyl]propan-2-amine
CID 79484505
5-ethyl-1-(2-methyl-5-nitrophenyl)triazol-4-amine
CID 79507650
3-(2-methyl-5-nitrophenyl)-1,2,4-oxadiazol-5-amine
CID 62469803
5-bromo-2-(2-methyl-5-nitrophenyl)pyrimidin-4-amine
CID 66304278
5-(2-methyl-5-nitrophenyl)pyrimidine
CID 23503692
6-(2-methyl-5-nitrophenoxy)-5-propylpyrimidin-4-amine
CID 80878866

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-5-(2-methyl-5-nitrophenyl)-1H-pyrazol-3-amine?
The IUPAC name of 4-ethyl-5-(2-methyl-5-nitrophenyl)-1H-pyrazol-3-amine (CID 61292087) is 4-ethyl-5-(2-methyl-5-nitrophenyl)-1H-pyrazol-3-amine.
What is the SMILES notation for 4-ethyl-5-(2-methyl-5-nitrophenyl)-1H-pyrazol-3-amine?
The canonical SMILES for 4-ethyl-5-(2-methyl-5-nitrophenyl)-1H-pyrazol-3-amine is CCc1c(N)n[nH]c1-c1cc([N+](=O)[O-])ccc1C.
What is the InChIKey of 4-ethyl-5-(2-methyl-5-nitrophenyl)-1H-pyrazol-3-amine?
The InChIKey is PLSXYUUMRJEURO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2/c1-3-9-11(14-15-12(9)13)10-6-8(16(17)18)5-4-7(10)2/h4-6H,3H2,1-2H3,(H3,13,14,15).
What are the key properties of 4-ethyl-5-(2-methyl-5-nitrophenyl)-1H-pyrazol-3-amine?
4-ethyl-5-(2-methyl-5-nitrophenyl)-1H-pyrazol-3-amine has a molecular weight of 246.27 g/mol, XLogP of 2.44, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-5-(2-methyl-5-nitrophenyl)-1H-pyrazol-3-amine is sourced from PubChem (CID 61292087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).