3-ethyl-N-(3-hydrazinyl-5-nitrophenyl)-1-methylpyrazol-4-amine

C12H16N6O2 — CID 107465279

IUPAC3-ethyl-N-(3-hydrazinyl-5-nitrophenyl)-1-methylpyrazol-4-amine
SMILESCCc1nn(C)cc1Nc1cc(NN)cc([N+](=O)[O-])c1
InChIInChI=1S/C12H16N6O2/c1-3-11-12(7-17(2)16-11)14-8-4-9(15-13)6-10(5-8)18(19)20/h4-7,14-15H,3,13H2,1-2H3
InChIKeyHDKAHFJCRXHUSF-UHFFFAOYSA-N
MW276.30 g/mol
LogP1.92
Rot. Bonds5

About 3-ethyl-N-(3-hydrazinyl-5-nitrophenyl)-1-methylpyrazol-4-amine

3-ethyl-N-(3-hydrazinyl-5-nitrophenyl)-1-methylpyrazol-4-amine (PubChem CID 107465279) has the molecular formula C12H16N6O2 and a molecular weight of 276.30 g/mol. Its IUPAC name is 3-ethyl-N-(3-hydrazinyl-5-nitrophenyl)-1-methylpyrazol-4-amine.

Molecular Properties

Compound Name3-ethyl-N-(3-hydrazinyl-5-nitrophenyl)-1-methylpyrazol-4-amine
PubChem CID107465279
Molecular FormulaC12H16N6O2
Molecular Weight276.30 g/mol
Exact Mass276.13
IUPAC Name3-ethyl-N-(3-hydrazinyl-5-nitrophenyl)-1-methylpyrazol-4-amine
SMILESCCc1nn(C)cc1Nc1cc(NN)cc([N+](=O)[O-])c1
InChIInChI=1S/C12H16N6O2/c1-3-11-12(7-17(2)16-11)14-8-4-9(15-13)6-10(5-8)18(19)20/h4-7,14-15H,3,13H2,1-2H3
InChIKeyHDKAHFJCRXHUSF-UHFFFAOYSA-N
XLogP1.92
TPSA111.04 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 51.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', '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

3-ethyl-1-methyl-N-(2-methyl-5-nitrophenyl)pyrazol-4-amine
CID 107463745
6-chloro-N-(3-ethyl-1-methylpyrazol-4-yl)-4-nitropyridin-2-amine
CID 114070886
3-bromo-N-(3-ethyl-1-methylpyrazol-4-yl)-5-nitropyridin-2-amine
CID 103908160
N-(3-ethyl-1-methylpyrazol-4-yl)-6-hydrazinyl-3-nitropyridin-2-amine
CID 107465281
5-[(3-ethyl-1-methylpyrazol-4-yl)amino]-2-nitrobenzoic acid
CID 107463417
(3-ethyl-1-methylpyrazol-4-yl)hydrazine
CID 107462607
N-(3-ethyl-1-methylpyrazol-4-yl)-5-nitro-1,3-benzoxazol-2-amine
CID 107463583
4-[(3-ethyl-1-methylpyrazol-4-yl)amino]benzenesulfonamide
CID 107463553
5-chloro-N-(3-ethyl-1-methylpyrazol-4-yl)-3-nitropyridin-2-amine
CID 103908163
N-(3-ethyl-1-methylpyrazol-4-yl)-2-nitropyridin-3-amine
CID 113349603
3-hydrazinyl-N-[(1-methylpyrazol-4-yl)methyl]-5-nitroaniline
CID 80908372
[3-(3,5-dimethylpyrazol-1-yl)-5-nitrophenyl]hydrazine
CID 80900658

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-(3-hydrazinyl-5-nitrophenyl)-1-methylpyrazol-4-amine?
The IUPAC name of 3-ethyl-N-(3-hydrazinyl-5-nitrophenyl)-1-methylpyrazol-4-amine (CID 107465279) is 3-ethyl-N-(3-hydrazinyl-5-nitrophenyl)-1-methylpyrazol-4-amine.
What is the SMILES notation for 3-ethyl-N-(3-hydrazinyl-5-nitrophenyl)-1-methylpyrazol-4-amine?
The canonical SMILES for 3-ethyl-N-(3-hydrazinyl-5-nitrophenyl)-1-methylpyrazol-4-amine is CCc1nn(C)cc1Nc1cc(NN)cc([N+](=O)[O-])c1.
What is the InChIKey of 3-ethyl-N-(3-hydrazinyl-5-nitrophenyl)-1-methylpyrazol-4-amine?
The InChIKey is HDKAHFJCRXHUSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N6O2/c1-3-11-12(7-17(2)16-11)14-8-4-9(15-13)6-10(5-8)18(19)20/h4-7,14-15H,3,13H2,1-2H3.
What are the key properties of 3-ethyl-N-(3-hydrazinyl-5-nitrophenyl)-1-methylpyrazol-4-amine?
3-ethyl-N-(3-hydrazinyl-5-nitrophenyl)-1-methylpyrazol-4-amine has a molecular weight of 276.30 g/mol, XLogP of 1.92, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-(3-hydrazinyl-5-nitrophenyl)-1-methylpyrazol-4-amine is sourced from PubChem (CID 107465279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).