(E)-2-(1,3-dimethyl-4-nitropyrazol-5-yl)-N,N-dimethylethenamine

C9H14N4O2 — CID 1482285

IUPAC(E)-2-(1,3-dimethyl-4-nitropyrazol-5-yl)-N,N-dimethylethenamine
SMILESCc1nn(C)c(/C=C/N(C)C)c1[N+](=O)[O-]
InChIInChI=1S/C9H14N4O2/c1-7-9(13(14)15)8(12(4)10-7)5-6-11(2)3/h5-6H,1-4H3/b6-5+
InChIKeyQPYNTAAQSHSTDN-AATRIKPKSA-N
MW210.24 g/mol
LogP1.17
Rot. Bonds3

About (E)-2-(1,3-dimethyl-4-nitropyrazol-5-yl)-N,N-dimethylethenamine

(E)-2-(1,3-dimethyl-4-nitropyrazol-5-yl)-N,N-dimethylethenamine (PubChem CID 1482285) has the molecular formula C9H14N4O2 and a molecular weight of 210.24 g/mol. Its IUPAC name is (E)-2-(1,3-dimethyl-4-nitropyrazol-5-yl)-N,N-dimethylethenamine.

Molecular Properties

Compound Name(E)-2-(1,3-dimethyl-4-nitropyrazol-5-yl)-N,N-dimethylethenamine
PubChem CID1482285
Molecular FormulaC9H14N4O2
Molecular Weight210.24 g/mol
Exact Mass210.11
IUPAC Name(E)-2-(1,3-dimethyl-4-nitropyrazol-5-yl)-N,N-dimethylethenamine
SMILESCc1nn(C)c(/C=C/N(C)C)c1[N+](=O)[O-]
InChIInChI=1S/C9H14N4O2/c1-7-9(13(14)15)8(12(4)10-7)5-6-11(2)3/h5-6H,1-4H3/b6-5+
InChIKeyQPYNTAAQSHSTDN-AATRIKPKSA-N
XLogP1.17
TPSA64.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 51.17
H-Bond Donors ≤ 50
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

1,3,5-Trimethyl-4-nitro-1H-pyrazole
CID 121019
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
1-Ethenyl-3,5-dimethyl-4-nitro-1H-pyrazole
CID 13498185
1-(2-Fluoroethyl)-3,5-dimethyl-4-nitro-1H-pyrazole
CID 118262391
3-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)propanenitrile
CID 17024673
1-(3-fluoropropyl)-3,5-dimethyl-4-nitro-1H-pyrazole
CID 3812546
(E)-N,N-dimethyl-2-[3-methyl-4-nitro-1-(2,2,2-trifluoroethyl)pyrazol-5-yl]ethenamine
CID 134096016
(E)-N,N-dimethyl-2-[2-methyl-4-nitro-5-(trifluoromethyl)pyrazol-3-yl]ethenamine
CID 134110862
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

Frequently Asked Questions

What is the IUPAC name of (E)-2-(1,3-dimethyl-4-nitropyrazol-5-yl)-N,N-dimethylethenamine?
The IUPAC name of (E)-2-(1,3-dimethyl-4-nitropyrazol-5-yl)-N,N-dimethylethenamine (CID 1482285) is (E)-2-(1,3-dimethyl-4-nitropyrazol-5-yl)-N,N-dimethylethenamine.
What is the SMILES notation for (E)-2-(1,3-dimethyl-4-nitropyrazol-5-yl)-N,N-dimethylethenamine?
The canonical SMILES for (E)-2-(1,3-dimethyl-4-nitropyrazol-5-yl)-N,N-dimethylethenamine is Cc1nn(C)c(/C=C/N(C)C)c1[N+](=O)[O-].
What is the InChIKey of (E)-2-(1,3-dimethyl-4-nitropyrazol-5-yl)-N,N-dimethylethenamine?
The InChIKey is QPYNTAAQSHSTDN-AATRIKPKSA-N. The full InChI is InChI=1S/C9H14N4O2/c1-7-9(13(14)15)8(12(4)10-7)5-6-11(2)3/h5-6H,1-4H3/b6-5+.
What are the key properties of (E)-2-(1,3-dimethyl-4-nitropyrazol-5-yl)-N,N-dimethylethenamine?
(E)-2-(1,3-dimethyl-4-nitropyrazol-5-yl)-N,N-dimethylethenamine has a molecular weight of 210.24 g/mol, XLogP of 1.17, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-(1,3-dimethyl-4-nitropyrazol-5-yl)-N,N-dimethylethenamine is sourced from PubChem (CID 1482285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).