1-ethyl-3-methyl-N-[1-(4-methylphenyl)ethyl]-4-nitropyrazol-5-amine

C15H20N4O2 — CID 66011430

IUPAC1-ethyl-3-methyl-N-[1-(4-methylphenyl)ethyl]-4-nitropyrazol-5-amine
SMILESCCn1nc(C)c([N+](=O)[O-])c1NC(C)c1ccc(C)cc1
InChIInChI=1S/C15H20N4O2/c1-5-18-15(14(19(20)21)12(4)17-18)16-11(3)13-8-6-10(2)7-9-13/h6-9,11,16H,5H2,1-4H3
InChIKeyHYMGONALPNCDAM-UHFFFAOYSA-N
MW288.35 g/mol
LogP3.60
Rot. Bonds5

About 1-ethyl-3-methyl-N-[1-(4-methylphenyl)ethyl]-4-nitropyrazol-5-amine

1-ethyl-3-methyl-N-[1-(4-methylphenyl)ethyl]-4-nitropyrazol-5-amine (PubChem CID 66011430) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 1-ethyl-3-methyl-N-[1-(4-methylphenyl)ethyl]-4-nitropyrazol-5-amine.

Molecular Properties

Compound Name1-ethyl-3-methyl-N-[1-(4-methylphenyl)ethyl]-4-nitropyrazol-5-amine
PubChem CID66011430
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name1-ethyl-3-methyl-N-[1-(4-methylphenyl)ethyl]-4-nitropyrazol-5-amine
SMILESCCn1nc(C)c([N+](=O)[O-])c1NC(C)c1ccc(C)cc1
InChIInChI=1S/C15H20N4O2/c1-5-18-15(14(19(20)21)12(4)17-18)16-11(3)13-8-6-10(2)7-9-13/h6-9,11,16H,5H2,1-4H3
InChIKeyHYMGONALPNCDAM-UHFFFAOYSA-N
XLogP3.60
TPSA72.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 53.60
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-ethyl-N-[1-(furan-2-yl)ethyl]-3-methyl-4-nitropyrazol-5-amine
CID 66011416
N-but-3-yn-2-yl-1-ethyl-3-methyl-4-nitropyrazol-5-amine
CID 114417991
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-ethyl-2-[(1-ethyl-3-methyl-4-nitropyrazol-5-yl)amino]propanamide
CID 66012011
2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-[(1R)-1-(4-methylphenyl)ethyl]acetamide
CID 841675
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
2-[(1-ethyl-3-methyl-4-nitropyrazol-5-yl)amino]-1-phenylethanol
CID 66013564
1-ethyl-3-methyl-4-nitro-N-(1-thiophen-2-ylbutyl)pyrazol-5-amine
CID 66010845
2-N-(1-ethyl-3-methyl-4-nitropyrazol-5-yl)hexane-1,2-diamine
CID 80704894
N-[1-(3,4-difluorophenyl)ethyl]-1,3-dimethyl-4-nitropyrazol-5-amine
CID 47037655

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-methyl-N-[1-(4-methylphenyl)ethyl]-4-nitropyrazol-5-amine?
The IUPAC name of 1-ethyl-3-methyl-N-[1-(4-methylphenyl)ethyl]-4-nitropyrazol-5-amine (CID 66011430) is 1-ethyl-3-methyl-N-[1-(4-methylphenyl)ethyl]-4-nitropyrazol-5-amine.
What is the SMILES notation for 1-ethyl-3-methyl-N-[1-(4-methylphenyl)ethyl]-4-nitropyrazol-5-amine?
The canonical SMILES for 1-ethyl-3-methyl-N-[1-(4-methylphenyl)ethyl]-4-nitropyrazol-5-amine is CCn1nc(C)c([N+](=O)[O-])c1NC(C)c1ccc(C)cc1.
What is the InChIKey of 1-ethyl-3-methyl-N-[1-(4-methylphenyl)ethyl]-4-nitropyrazol-5-amine?
The InChIKey is HYMGONALPNCDAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-5-18-15(14(19(20)21)12(4)17-18)16-11(3)13-8-6-10(2)7-9-13/h6-9,11,16H,5H2,1-4H3.
What are the key properties of 1-ethyl-3-methyl-N-[1-(4-methylphenyl)ethyl]-4-nitropyrazol-5-amine?
1-ethyl-3-methyl-N-[1-(4-methylphenyl)ethyl]-4-nitropyrazol-5-amine has a molecular weight of 288.35 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-methyl-N-[1-(4-methylphenyl)ethyl]-4-nitropyrazol-5-amine is sourced from PubChem (CID 66011430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).