(E,3Z)-2-(1,3-dimethyl-4-nitropyrazol-5-yl)-3-methoxyimino-N,N-dimethylprop-1-en-1-amine

C11H17N5O3 — CID 11288606

IUPAC(E,3Z)-2-(1,3-dimethyl-4-nitropyrazol-5-yl)-3-methoxyimino-N,N-dimethylprop-1-en-1-amine
SMILESCO/N=C\C(=C\N(C)C)c1c([N+](=O)[O-])c(C)nn1C
InChIInChI=1S/C11H17N5O3/c1-8-10(16(17)18)11(15(4)13-8)9(6-12-19-5)7-14(2)3/h6-7H,1-5H3/b9-7-,12-6-
InChIKeyUPHYARUNOSTSAO-IXUQWGLGSA-N
MW267.29 g/mol
LogP1.17
Rot. Bonds5

About (E,3Z)-2-(1,3-dimethyl-4-nitropyrazol-5-yl)-3-methoxyimino-N,N-dimethylprop-1-en-1-amine

(E,3Z)-2-(1,3-dimethyl-4-nitropyrazol-5-yl)-3-methoxyimino-N,N-dimethylprop-1-en-1-amine (PubChem CID 11288606) has the molecular formula C11H17N5O3 and a molecular weight of 267.29 g/mol. Its IUPAC name is (E,3Z)-2-(1,3-dimethyl-4-nitropyrazol-5-yl)-3-methoxyimino-N,N-dimethylprop-1-en-1-amine.

Molecular Properties

Compound Name(E,3Z)-2-(1,3-dimethyl-4-nitropyrazol-5-yl)-3-methoxyimino-N,N-dimethylprop-1-en-1-amine
PubChem CID11288606
Molecular FormulaC11H17N5O3
Molecular Weight267.29 g/mol
Exact Mass267.13
IUPAC Name(E,3Z)-2-(1,3-dimethyl-4-nitropyrazol-5-yl)-3-methoxyimino-N,N-dimethylprop-1-en-1-amine
SMILESCO/N=C\C(=C\N(C)C)c1c([N+](=O)[O-])c(C)nn1C
InChIInChI=1S/C11H17N5O3/c1-8-10(16(17)18)11(15(4)13-8)9(6-12-19-5)7-14(2)3/h6-7H,1-5H3/b9-7-,12-6-
InChIKeyUPHYARUNOSTSAO-IXUQWGLGSA-N
XLogP1.17
TPSA85.79 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(1,5-dimethyl-4-nitro-1H-pyrazol-3-yl)acetaldehyde oxime
CID 9583526
2-(1,3-dimethyl-4-nitro-1H-pyrazol-5-yl)acetaldehyde O-methyloxime
CID 9581625
2-(1,5-dimethyl-4-nitropyrazol-3-yl)-N,N-dimethylethenamine
CID 2805422
(E)-2-(1,5-dimethyl-4-nitropyrazol-3-yl)-N,N-dimethylethenamine
CID 5713969
N-[2-(1,5-dimethyl-4-nitropyrazol-3-yl)ethylidene]hydroxylamine
CID 2805423
[2-(1,3-dimethyl-4-nitro-1H-pyrazol-5-yl)ethylidene](methoxy)amine
CID 2764953
3-tert-butyl-5-[2-(dimethylamino)vinyl]-4-nitro-1-methyl-1H-pyrazole
CID 6275108
(Z)-2-(1,5-dimethyl-4-nitropyrazol-3-yl)-N,N-dimethylethenamine
CID 24209795
[2-(1,3-dimethyl-4-nitro-1H-pyrazol-5-yl)ethenyl]dimethylamine
CID 1482284
(E)-2-(2,5-dimethyl-4-nitropyrazol-3-yl)-N,N-dimethylethenamine
CID 1482285
1-methyl-4-(1-methyl-4-nitro-1H-pyrazol-5-yl)-1,2,3,6-tetrahydropyridine
CID 58465025
5-((1E,4Z)-cyclohepta-1,4-dienyl)-1-methyl-4-nitro-1H-pyrazole
CID 86680018

Frequently Asked Questions

What is the IUPAC name of (E,3Z)-2-(1,3-dimethyl-4-nitropyrazol-5-yl)-3-methoxyimino-N,N-dimethylprop-1-en-1-amine?
The IUPAC name of (E,3Z)-2-(1,3-dimethyl-4-nitropyrazol-5-yl)-3-methoxyimino-N,N-dimethylprop-1-en-1-amine (CID 11288606) is (E,3Z)-2-(1,3-dimethyl-4-nitropyrazol-5-yl)-3-methoxyimino-N,N-dimethylprop-1-en-1-amine.
What is the SMILES notation for (E,3Z)-2-(1,3-dimethyl-4-nitropyrazol-5-yl)-3-methoxyimino-N,N-dimethylprop-1-en-1-amine?
The canonical SMILES for (E,3Z)-2-(1,3-dimethyl-4-nitropyrazol-5-yl)-3-methoxyimino-N,N-dimethylprop-1-en-1-amine is CO/N=C\C(=C\N(C)C)c1c([N+](=O)[O-])c(C)nn1C.
What is the InChIKey of (E,3Z)-2-(1,3-dimethyl-4-nitropyrazol-5-yl)-3-methoxyimino-N,N-dimethylprop-1-en-1-amine?
The InChIKey is UPHYARUNOSTSAO-IXUQWGLGSA-N. The full InChI is InChI=1S/C11H17N5O3/c1-8-10(16(17)18)11(15(4)13-8)9(6-12-19-5)7-14(2)3/h6-7H,1-5H3/b9-7-,12-6-.
What are the key properties of (E,3Z)-2-(1,3-dimethyl-4-nitropyrazol-5-yl)-3-methoxyimino-N,N-dimethylprop-1-en-1-amine?
(E,3Z)-2-(1,3-dimethyl-4-nitropyrazol-5-yl)-3-methoxyimino-N,N-dimethylprop-1-en-1-amine has a molecular weight of 267.29 g/mol, XLogP of 1.17, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (E,3Z)-2-(1,3-dimethyl-4-nitropyrazol-5-yl)-3-methoxyimino-N,N-dimethylprop-1-en-1-amine is sourced from PubChem (CID 11288606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).