1-methyl-N-[1-(2-nitrophenyl)ethyl]pyrazol-3-amine

C12H14N4O2 — CID 60808344

IUPAC1-methyl-N-[1-(2-nitrophenyl)ethyl]pyrazol-3-amine
SMILESCC(Nc1ccn(C)n1)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C12H14N4O2/c1-9(13-12-7-8-15(2)14-12)10-5-3-4-6-11(10)16(17)18/h3-9H,1-2H3,(H,13,14)
InChIKeyGFPFOESEZBHUJX-UHFFFAOYSA-N
MW246.27 g/mol
LogP2.50
Rot. Bonds4

About 1-methyl-N-[1-(2-nitrophenyl)ethyl]pyrazol-3-amine

1-methyl-N-[1-(2-nitrophenyl)ethyl]pyrazol-3-amine (PubChem CID 60808344) has the molecular formula C12H14N4O2 and a molecular weight of 246.27 g/mol. Its IUPAC name is 1-methyl-N-[1-(2-nitrophenyl)ethyl]pyrazol-3-amine.

Molecular Properties

Compound Name1-methyl-N-[1-(2-nitrophenyl)ethyl]pyrazol-3-amine
PubChem CID60808344
Molecular FormulaC12H14N4O2
Molecular Weight246.27 g/mol
Exact Mass246.11
IUPAC Name1-methyl-N-[1-(2-nitrophenyl)ethyl]pyrazol-3-amine
SMILESCC(Nc1ccn(C)n1)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C12H14N4O2/c1-9(13-12-7-8-15(2)14-12)10-5-3-4-6-11(10)16(17)18/h3-9H,1-2H3,(H,13,14)
InChIKeyGFPFOESEZBHUJX-UHFFFAOYSA-N
XLogP2.50
TPSA72.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 52.50
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-methylsulfonylethyl)-N-[(1S)-1-(2-nitrophenyl)ethyl]pyrazol-3-amine
CID 97047892
N-(1-methylpyrazol-3-yl)-2-(2-nitrophenyl)acetamide
CID 16962879
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-1-methylpyrazol-3-amine
CID 65197071
N-[1-(2-nitrophenyl)ethyl]propan-2-amine
CID 43147503
N-(2-chloro-6-nitrophenyl)-1-methylpyrazol-3-amine
CID 79778291
N-[1-(2-nitrophenyl)ethyl]-1-pyrazol-1-ylpropan-2-amine
CID 43749316
(2S)-1-[1-(2-nitrophenyl)ethylamino]propan-2-ol
CID 103906316
1-ethyl-N-[1-(2-nitrophenyl)ethyl]pyrazol-4-amine
CID 43543284
N',N'-diethyl-N-[1-(2-nitrophenyl)ethyl]propane-1,3-diamine
CID 43147574
3-N,3-N-dimethyl-1-N-[1-(2-nitrophenyl)ethyl]benzene-1,3-diamine
CID 115376017
2-[1-(2-nitrophenyl)ethylamino]benzoic acid
CID 43139514
N-[(1S)-1-(2,6-difluorophenyl)ethyl]-1-methylpyrazol-3-amine
CID 93329707

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[1-(2-nitrophenyl)ethyl]pyrazol-3-amine?
The IUPAC name of 1-methyl-N-[1-(2-nitrophenyl)ethyl]pyrazol-3-amine (CID 60808344) is 1-methyl-N-[1-(2-nitrophenyl)ethyl]pyrazol-3-amine.
What is the SMILES notation for 1-methyl-N-[1-(2-nitrophenyl)ethyl]pyrazol-3-amine?
The canonical SMILES for 1-methyl-N-[1-(2-nitrophenyl)ethyl]pyrazol-3-amine is CC(Nc1ccn(C)n1)c1ccccc1[N+](=O)[O-].
What is the InChIKey of 1-methyl-N-[1-(2-nitrophenyl)ethyl]pyrazol-3-amine?
The InChIKey is GFPFOESEZBHUJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2/c1-9(13-12-7-8-15(2)14-12)10-5-3-4-6-11(10)16(17)18/h3-9H,1-2H3,(H,13,14).
What are the key properties of 1-methyl-N-[1-(2-nitrophenyl)ethyl]pyrazol-3-amine?
1-methyl-N-[1-(2-nitrophenyl)ethyl]pyrazol-3-amine has a molecular weight of 246.27 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[1-(2-nitrophenyl)ethyl]pyrazol-3-amine is sourced from PubChem (CID 60808344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).