1-ethyl-N-(3-methoxy-4-nitrophenyl)pyrazol-4-amine

C12H14N4O3 — CID 63671776

IUPAC1-ethyl-N-(3-methoxy-4-nitrophenyl)pyrazol-4-amine
SMILESCCn1cc(Nc2ccc([N+](=O)[O-])c(OC)c2)cn1
InChIInChI=1S/C12H14N4O3/c1-3-15-8-10(7-13-15)14-9-4-5-11(16(17)18)12(6-9)19-2/h4-8,14H,3H2,1-2H3
InChIKeyFZVHQMNZTWQJJR-UHFFFAOYSA-N
MW262.27 g/mol
LogP2.56
Rot. Bonds5

About 1-ethyl-N-(3-methoxy-4-nitrophenyl)pyrazol-4-amine

1-ethyl-N-(3-methoxy-4-nitrophenyl)pyrazol-4-amine (PubChem CID 63671776) has the molecular formula C12H14N4O3 and a molecular weight of 262.27 g/mol. Its IUPAC name is 1-ethyl-N-(3-methoxy-4-nitrophenyl)pyrazol-4-amine.

Molecular Properties

Compound Name1-ethyl-N-(3-methoxy-4-nitrophenyl)pyrazol-4-amine
PubChem CID63671776
Molecular FormulaC12H14N4O3
Molecular Weight262.27 g/mol
Exact Mass262.11
IUPAC Name1-ethyl-N-(3-methoxy-4-nitrophenyl)pyrazol-4-amine
SMILESCCn1cc(Nc2ccc([N+](=O)[O-])c(OC)c2)cn1
InChIInChI=1S/C12H14N4O3/c1-3-15-8-10(7-13-15)14-9-4-5-11(16(17)18)12(6-9)19-2/h4-8,14H,3H2,1-2H3
InChIKeyFZVHQMNZTWQJJR-UHFFFAOYSA-N
XLogP2.56
TPSA82.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

N-(3-methoxy-4-nitrophenyl)-1-propan-2-ylpyrazol-4-amine
CID 63669987
methyl 6-[(1-ethylpyrazol-4-yl)amino]-5-nitropyridine-2-carboxylate
CID 114403655
N-(4-fluorophenyl)-3-methoxy-4-nitroaniline
CID 165348720
methyl 2-nitro-5-[[1-(2-piperidin-1-ylethyl)pyrazol-4-yl]amino]benzoate
CID 133446833
N-(2,6-dichloro-4-nitrophenyl)-1-ethylpyrazol-4-amine
CID 104917216
N-(2,6-difluoro-4-nitrophenyl)-1-ethylpyrazol-4-amine
CID 103828470
1-ethyl-N-(5-methylsulfonyl-3-nitrothiophen-2-yl)pyrazol-4-amine
CID 75502353
6-[(1-ethylpyrazol-4-yl)amino]-5-nitropyridine-3-carboxylic acid
CID 81438375
3-chloro-N-(1-ethylpyrazol-4-yl)-4-nitrobenzamide
CID 82781184
N-(4-methyl-2-nitrophenyl)-1-propylpyrazol-4-amine
CID 133389844
N-(3-methoxy-4-nitrophenyl)-2,5-dimethylpyrrol-1-amine
CID 79106267
N-(4,5-dimethoxy-2-nitrophenyl)-1-(2-piperidin-1-ylethyl)pyrazol-4-amine
CID 133446885

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-(3-methoxy-4-nitrophenyl)pyrazol-4-amine?
The IUPAC name of 1-ethyl-N-(3-methoxy-4-nitrophenyl)pyrazol-4-amine (CID 63671776) is 1-ethyl-N-(3-methoxy-4-nitrophenyl)pyrazol-4-amine.
What is the SMILES notation for 1-ethyl-N-(3-methoxy-4-nitrophenyl)pyrazol-4-amine?
The canonical SMILES for 1-ethyl-N-(3-methoxy-4-nitrophenyl)pyrazol-4-amine is CCn1cc(Nc2ccc([N+](=O)[O-])c(OC)c2)cn1.
What is the InChIKey of 1-ethyl-N-(3-methoxy-4-nitrophenyl)pyrazol-4-amine?
The InChIKey is FZVHQMNZTWQJJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O3/c1-3-15-8-10(7-13-15)14-9-4-5-11(16(17)18)12(6-9)19-2/h4-8,14H,3H2,1-2H3.
What are the key properties of 1-ethyl-N-(3-methoxy-4-nitrophenyl)pyrazol-4-amine?
1-ethyl-N-(3-methoxy-4-nitrophenyl)pyrazol-4-amine has a molecular weight of 262.27 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-(3-methoxy-4-nitrophenyl)pyrazol-4-amine is sourced from PubChem (CID 63671776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).