1-ethyl-N-[1-(furan-2-yl)ethyl]-3-methyl-4-nitropyrazol-5-amine

C12H16N4O3 — CID 66011416

IUPAC1-ethyl-N-[1-(furan-2-yl)ethyl]-3-methyl-4-nitropyrazol-5-amine
SMILESCCn1nc(C)c([N+](=O)[O-])c1NC(C)c1ccco1
InChIInChI=1S/C12H16N4O3/c1-4-15-12(11(16(17)18)9(3)14-15)13-8(2)10-6-5-7-19-10/h5-8,13H,4H2,1-3H3
InChIKeyRCXDGGFILUYXDJ-UHFFFAOYSA-N
MW264.28 g/mol
LogP2.89
Rot. Bonds5

About 1-ethyl-N-[1-(furan-2-yl)ethyl]-3-methyl-4-nitropyrazol-5-amine

1-ethyl-N-[1-(furan-2-yl)ethyl]-3-methyl-4-nitropyrazol-5-amine (PubChem CID 66011416) has the molecular formula C12H16N4O3 and a molecular weight of 264.28 g/mol. Its IUPAC name is 1-ethyl-N-[1-(furan-2-yl)ethyl]-3-methyl-4-nitropyrazol-5-amine.

Molecular Properties

Compound Name1-ethyl-N-[1-(furan-2-yl)ethyl]-3-methyl-4-nitropyrazol-5-amine
PubChem CID66011416
Molecular FormulaC12H16N4O3
Molecular Weight264.28 g/mol
Exact Mass264.12
IUPAC Name1-ethyl-N-[1-(furan-2-yl)ethyl]-3-methyl-4-nitropyrazol-5-amine
SMILESCCn1nc(C)c([N+](=O)[O-])c1NC(C)c1ccco1
InChIInChI=1S/C12H16N4O3/c1-4-15-12(11(16(17)18)9(3)14-15)13-8(2)10-6-5-7-19-10/h5-8,13H,4H2,1-3H3
InChIKeyRCXDGGFILUYXDJ-UHFFFAOYSA-N
XLogP2.89
TPSA86.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 52.89
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'}

Analyze 1-ethyl-N-[1-(furan-2-yl)ethyl]-3-methyl-4-nitropyrazol-5-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-ethyl-3-methyl-N-[1-(4-methylphenyl)ethyl]-4-nitropyrazol-5-amine
CID 66011430
N-but-3-yn-2-yl-1-ethyl-3-methyl-4-nitropyrazol-5-amine
CID 114417991
N-ethyl-2-[(1-ethyl-3-methyl-4-nitropyrazol-5-yl)amino]propanamide
CID 66012011
2-[(1-ethyl-3-methyl-4-nitropyrazol-5-yl)amino]propane-1,3-diol
CID 66012422
2-[(1-ethyl-3-methyl-4-nitropyrazol-5-yl)amino]-3-methylbutanoic acid
CID 66011790
N-[1-(furan-2-yl)ethyl]-2,3-dimethyl-5-nitroimidazol-4-amine
CID 49428433
4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-N-[(1S)-1-(furan-2-yl)ethyl]benzamide
CID 9482200
1-ethyl-3-methyl-4-nitro-N-(1-thiophen-2-ylbutyl)pyrazol-5-amine
CID 66010845
N-ethyl-N'-(1-ethyl-3-methyl-4-nitropyrazol-5-yl)ethane-1,2-diamine
CID 66013610
1-ethyl-3-methyl-4-nitro-N-(1-piperidin-1-ylpropan-2-yl)pyrazol-5-amine
CID 66012792
5-N-[1-(furan-2-yl)ethyl]-1,3-dimethylpyrazole-4,5-diamine
CID 43554339
2-[(1-ethyl-3-methyl-4-nitropyrazol-5-yl)amino]-1-phenylethanol
CID 66013564

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[1-(furan-2-yl)ethyl]-3-methyl-4-nitropyrazol-5-amine?
The IUPAC name of 1-ethyl-N-[1-(furan-2-yl)ethyl]-3-methyl-4-nitropyrazol-5-amine (CID 66011416) is 1-ethyl-N-[1-(furan-2-yl)ethyl]-3-methyl-4-nitropyrazol-5-amine.
What is the SMILES notation for 1-ethyl-N-[1-(furan-2-yl)ethyl]-3-methyl-4-nitropyrazol-5-amine?
The canonical SMILES for 1-ethyl-N-[1-(furan-2-yl)ethyl]-3-methyl-4-nitropyrazol-5-amine is CCn1nc(C)c([N+](=O)[O-])c1NC(C)c1ccco1.
What is the InChIKey of 1-ethyl-N-[1-(furan-2-yl)ethyl]-3-methyl-4-nitropyrazol-5-amine?
The InChIKey is RCXDGGFILUYXDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O3/c1-4-15-12(11(16(17)18)9(3)14-15)13-8(2)10-6-5-7-19-10/h5-8,13H,4H2,1-3H3.
What are the key properties of 1-ethyl-N-[1-(furan-2-yl)ethyl]-3-methyl-4-nitropyrazol-5-amine?
1-ethyl-N-[1-(furan-2-yl)ethyl]-3-methyl-4-nitropyrazol-5-amine has a molecular weight of 264.28 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[1-(furan-2-yl)ethyl]-3-methyl-4-nitropyrazol-5-amine is sourced from PubChem (CID 66011416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).