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

C11H15N5O3 — CID 66011236

IUPAC1-ethyl-3-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-4-nitropyrazol-5-amine
SMILESCCn1nc(C)c([N+](=O)[O-])c1NCc1cc(C)no1
InChIInChI=1S/C11H15N5O3/c1-4-15-11(10(16(17)18)8(3)13-15)12-6-9-5-7(2)14-19-9/h5,12H,4,6H2,1-3H3
InChIKeyDFECAVUVLBNWQX-UHFFFAOYSA-N
MW265.27 g/mol
LogP2.03
Rot. Bonds5

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

1-ethyl-3-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-4-nitropyrazol-5-amine (PubChem CID 66011236) has the molecular formula C11H15N5O3 and a molecular weight of 265.27 g/mol. Its IUPAC name is 1-ethyl-3-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-4-nitropyrazol-5-amine.

Molecular Properties

Compound Name1-ethyl-3-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-4-nitropyrazol-5-amine
PubChem CID66011236
Molecular FormulaC11H15N5O3
Molecular Weight265.27 g/mol
Exact Mass265.12
IUPAC Name1-ethyl-3-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-4-nitropyrazol-5-amine
SMILESCCn1nc(C)c([N+](=O)[O-])c1NCc1cc(C)no1
InChIInChI=1S/C11H15N5O3/c1-4-15-11(10(16(17)18)8(3)13-15)12-6-9-5-7(2)14-19-9/h5,12H,4,6H2,1-3H3
InChIKeyDFECAVUVLBNWQX-UHFFFAOYSA-N
XLogP2.03
TPSA99.02 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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-3-methyl-N-[(3-methylphenyl)methyl]-4-nitropyrazol-5-amine
CID 66011614
1-ethyl-3-methyl-N-[(6-methyl-3-pyridinyl)methyl]-4-nitropyrazol-5-amine
CID 66011244
N-ethyl-N'-(1-ethyl-3-methyl-4-nitropyrazol-5-yl)ethane-1,2-diamine
CID 66013610
2-chloro-6-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-5-nitropyrimidin-4-amine
CID 114043254
1-ethyl-N-[(2-methoxy-4-pyridinyl)methyl]-3-methyl-4-nitropyrazol-5-amine
CID 66011438
1-N-(1-ethyl-3-methyl-4-nitropyrazol-5-yl)-2-N,2-N,2-trimethylpropane-1,2-diamine
CID 66012600
1-ethyl-3-methyl-4-nitro-N-(2-thiophen-2-ylethyl)pyrazol-5-amine
CID 66012775
2-[(1-ethyl-3-methyl-4-nitropyrazol-5-yl)amino]-2-methylpropan-1-ol
CID 66013367
1-ethyl-3-methyl-4-nitro-N-(3-propoxypropyl)pyrazol-5-amine
CID 82944468
N-benzyl-3-methyl-4-nitro-1-propylpyrazol-5-amine
CID 66013296
3-[(1-ethyl-3-methyl-4-nitropyrazol-5-yl)amino]-2-methylpropanoic acid
CID 66012374
4-[2-[(1-ethyl-3-methyl-4-nitropyrazol-5-yl)amino]ethyl]phenol
CID 66011621

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-4-nitropyrazol-5-amine?
The IUPAC name of 1-ethyl-3-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-4-nitropyrazol-5-amine (CID 66011236) is 1-ethyl-3-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-4-nitropyrazol-5-amine.
What is the SMILES notation for 1-ethyl-3-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-4-nitropyrazol-5-amine?
The canonical SMILES for 1-ethyl-3-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-4-nitropyrazol-5-amine is CCn1nc(C)c([N+](=O)[O-])c1NCc1cc(C)no1.
What is the InChIKey of 1-ethyl-3-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-4-nitropyrazol-5-amine?
The InChIKey is DFECAVUVLBNWQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O3/c1-4-15-11(10(16(17)18)8(3)13-15)12-6-9-5-7(2)14-19-9/h5,12H,4,6H2,1-3H3.
What are the key properties of 1-ethyl-3-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-4-nitropyrazol-5-amine?
1-ethyl-3-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-4-nitropyrazol-5-amine has a molecular weight of 265.27 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-4-nitropyrazol-5-amine is sourced from PubChem (CID 66011236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).