3-ethyl-1-methyl-4-nitro-N-(1-phenylpropan-2-yl)pyrazol-5-amine

C15H20N4O2 — CID 66016394

IUPAC3-ethyl-1-methyl-4-nitro-N-(1-phenylpropan-2-yl)pyrazol-5-amine
SMILESCCc1nn(C)c(NC(C)Cc2ccccc2)c1[N+](=O)[O-]
InChIInChI=1S/C15H20N4O2/c1-4-13-14(19(20)21)15(18(3)17-13)16-11(2)10-12-8-6-5-7-9-12/h5-9,11,16H,4,10H2,1-3H3
InChIKeyYPFOTXIUOBAJCQ-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.93
Rot. Bonds6

About 3-ethyl-1-methyl-4-nitro-N-(1-phenylpropan-2-yl)pyrazol-5-amine

3-ethyl-1-methyl-4-nitro-N-(1-phenylpropan-2-yl)pyrazol-5-amine (PubChem CID 66016394) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 3-ethyl-1-methyl-4-nitro-N-(1-phenylpropan-2-yl)pyrazol-5-amine.

Molecular Properties

Compound Name3-ethyl-1-methyl-4-nitro-N-(1-phenylpropan-2-yl)pyrazol-5-amine
PubChem CID66016394
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name3-ethyl-1-methyl-4-nitro-N-(1-phenylpropan-2-yl)pyrazol-5-amine
SMILESCCc1nn(C)c(NC(C)Cc2ccccc2)c1[N+](=O)[O-]
InChIInChI=1S/C15H20N4O2/c1-4-13-14(19(20)21)15(18(3)17-13)16-11(2)10-12-8-6-5-7-9-12/h5-9,11,16H,4,10H2,1-3H3
InChIKeyYPFOTXIUOBAJCQ-UHFFFAOYSA-N
XLogP2.93
TPSA72.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.93
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

N-benzyl-3-ethyl-1-methyl-4-nitropyrazol-5-amine
CID 66016746
3-ethyl-1-methyl-N-(6-methylheptan-2-yl)-4-nitropyrazol-5-amine
CID 66016186
1-methyl-4-nitro-3-propyl-N-(1-thiophen-3-ylpropan-2-yl)pyrazol-5-amine
CID 66019804
2-[(3-ethyl-1-methyl-4-nitropyrazol-5-yl)amino]-3-methylbutan-1-ol
CID 79246133
3-ethyl-N-(2-methoxy-2-phenylethyl)-1-methyl-4-nitropyrazol-5-amine
CID 133441187
N-(1-benzyl-4-methylpyrrolidin-3-yl)-3-ethyl-1-methyl-4-nitropyrazol-5-amine
CID 133473307
1-N-methyl-2-nitro-3-N-(1-phenylpropan-2-yl)benzene-1,3-diamine
CID 80810799
ethyl 2-[(3-ethyl-1-methyl-4-nitropyrazol-5-yl)amino]propanoate
CID 66014588
6-N-methyl-5-nitro-4-N-(1-phenylpropan-2-yl)pyrimidine-4,6-diamine
CID 80811228
4-[(1-methyl-4-nitro-3-propylpyrazol-5-yl)amino]pentanoic acid
CID 66014875
3-ethyl-1-methyl-4-nitro-N-(1-thiophen-2-ylbutyl)pyrazol-5-amine
CID 66016189
3-[(1-methyl-4-nitro-3-propylpyrazol-5-yl)amino]butanoic acid
CID 66016089

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-methyl-4-nitro-N-(1-phenylpropan-2-yl)pyrazol-5-amine?
The IUPAC name of 3-ethyl-1-methyl-4-nitro-N-(1-phenylpropan-2-yl)pyrazol-5-amine (CID 66016394) is 3-ethyl-1-methyl-4-nitro-N-(1-phenylpropan-2-yl)pyrazol-5-amine.
What is the SMILES notation for 3-ethyl-1-methyl-4-nitro-N-(1-phenylpropan-2-yl)pyrazol-5-amine?
The canonical SMILES for 3-ethyl-1-methyl-4-nitro-N-(1-phenylpropan-2-yl)pyrazol-5-amine is CCc1nn(C)c(NC(C)Cc2ccccc2)c1[N+](=O)[O-].
What is the InChIKey of 3-ethyl-1-methyl-4-nitro-N-(1-phenylpropan-2-yl)pyrazol-5-amine?
The InChIKey is YPFOTXIUOBAJCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-4-13-14(19(20)21)15(18(3)17-13)16-11(2)10-12-8-6-5-7-9-12/h5-9,11,16H,4,10H2,1-3H3.
What are the key properties of 3-ethyl-1-methyl-4-nitro-N-(1-phenylpropan-2-yl)pyrazol-5-amine?
3-ethyl-1-methyl-4-nitro-N-(1-phenylpropan-2-yl)pyrazol-5-amine has a molecular weight of 288.35 g/mol, XLogP of 2.93, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-methyl-4-nitro-N-(1-phenylpropan-2-yl)pyrazol-5-amine is sourced from PubChem (CID 66016394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).