3-ethyl-1-methyl-N-(2-methyl-5-nitrophenyl)pyrazol-4-amine

C13H16N4O2 — CID 107463745

IUPAC3-ethyl-1-methyl-N-(2-methyl-5-nitrophenyl)pyrazol-4-amine
SMILESCCc1nn(C)cc1Nc1cc([N+](=O)[O-])ccc1C
InChIInChI=1S/C13H16N4O2/c1-4-11-13(8-16(3)15-11)14-12-7-10(17(18)19)6-5-9(12)2/h5-8,14H,4H2,1-3H3
InChIKeyDRHDFVPMPLYLQH-UHFFFAOYSA-N
MW260.30 g/mol
LogP2.94
Rot. Bonds4

About 3-ethyl-1-methyl-N-(2-methyl-5-nitrophenyl)pyrazol-4-amine

3-ethyl-1-methyl-N-(2-methyl-5-nitrophenyl)pyrazol-4-amine (PubChem CID 107463745) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is 3-ethyl-1-methyl-N-(2-methyl-5-nitrophenyl)pyrazol-4-amine.

Molecular Properties

Compound Name3-ethyl-1-methyl-N-(2-methyl-5-nitrophenyl)pyrazol-4-amine
PubChem CID107463745
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC Name3-ethyl-1-methyl-N-(2-methyl-5-nitrophenyl)pyrazol-4-amine
SMILESCCc1nn(C)cc1Nc1cc([N+](=O)[O-])ccc1C
InChIInChI=1S/C13H16N4O2/c1-4-11-13(8-16(3)15-11)14-12-7-10(17(18)19)6-5-9(12)2/h5-8,14H,4H2,1-3H3
InChIKeyDRHDFVPMPLYLQH-UHFFFAOYSA-N
XLogP2.94
TPSA72.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 52.94
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-(3-ethyl-1-methylpyrazol-4-yl)-5-nitro-1,3-benzoxazol-2-amine
CID 107463583
3-ethyl-N-(3-hydrazinyl-5-nitrophenyl)-1-methylpyrazol-4-amine
CID 107465279
3-bromo-N-(3-ethyl-1-methylpyrazol-4-yl)-5-nitropyridin-2-amine
CID 103908160
6-chloro-N-(3-ethyl-1-methylpyrazol-4-yl)-4-nitropyridin-2-amine
CID 114070886
N-(3-ethyl-1-methylpyrazol-4-yl)-2-nitropyridin-3-amine
CID 113349603
3-ethyl-N-[(2-methoxy-5-nitrophenyl)methyl]-1-methylpyrazol-4-amine
CID 107462923
N-(3-ethyl-1-methylpyrazol-4-yl)-2-fluoro-5-nitrobenzamide
CID 107462590
5-[(3-ethyl-1-methylpyrazol-4-yl)amino]-2-nitrobenzoic acid
CID 107463417
5-chloro-N-(3-ethyl-1-methylpyrazol-4-yl)-3-nitropyridin-2-amine
CID 103908163
N-(3-ethyl-1-methylpyrazol-4-yl)-4-nitro-1,3-benzothiazol-5-amine
CID 107463570
4-amino-3-[(3-ethyl-1-methylpyrazol-4-yl)amino]benzenesulfonamide
CID 107462094
N-(3-ethyl-1-methylpyrazol-4-yl)-6-hydrazinyl-3-nitropyridin-2-amine
CID 107465281

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-methyl-N-(2-methyl-5-nitrophenyl)pyrazol-4-amine?
The IUPAC name of 3-ethyl-1-methyl-N-(2-methyl-5-nitrophenyl)pyrazol-4-amine (CID 107463745) is 3-ethyl-1-methyl-N-(2-methyl-5-nitrophenyl)pyrazol-4-amine.
What is the SMILES notation for 3-ethyl-1-methyl-N-(2-methyl-5-nitrophenyl)pyrazol-4-amine?
The canonical SMILES for 3-ethyl-1-methyl-N-(2-methyl-5-nitrophenyl)pyrazol-4-amine is CCc1nn(C)cc1Nc1cc([N+](=O)[O-])ccc1C.
What is the InChIKey of 3-ethyl-1-methyl-N-(2-methyl-5-nitrophenyl)pyrazol-4-amine?
The InChIKey is DRHDFVPMPLYLQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c1-4-11-13(8-16(3)15-11)14-12-7-10(17(18)19)6-5-9(12)2/h5-8,14H,4H2,1-3H3.
What are the key properties of 3-ethyl-1-methyl-N-(2-methyl-5-nitrophenyl)pyrazol-4-amine?
3-ethyl-1-methyl-N-(2-methyl-5-nitrophenyl)pyrazol-4-amine has a molecular weight of 260.30 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-methyl-N-(2-methyl-5-nitrophenyl)pyrazol-4-amine is sourced from PubChem (CID 107463745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).