N-(3-ethyl-1-methylpyrazol-4-yl)-2-nitropyridin-3-amine

C11H13N5O2 — CID 113349603

IUPACN-(3-ethyl-1-methylpyrazol-4-yl)-2-nitropyridin-3-amine
SMILESCCc1nn(C)cc1Nc1cccnc1[N+](=O)[O-]
InChIInChI=1S/C11H13N5O2/c1-3-8-10(7-15(2)14-8)13-9-5-4-6-12-11(9)16(17)18/h4-7,13H,3H2,1-2H3
InChIKeyJVUMBYHZVRYWHI-UHFFFAOYSA-N
MW247.26 g/mol
LogP2.03
Rot. Bonds4

About N-(3-ethyl-1-methylpyrazol-4-yl)-2-nitropyridin-3-amine

N-(3-ethyl-1-methylpyrazol-4-yl)-2-nitropyridin-3-amine (PubChem CID 113349603) has the molecular formula C11H13N5O2 and a molecular weight of 247.26 g/mol. Its IUPAC name is N-(3-ethyl-1-methylpyrazol-4-yl)-2-nitropyridin-3-amine.

Molecular Properties

Compound NameN-(3-ethyl-1-methylpyrazol-4-yl)-2-nitropyridin-3-amine
PubChem CID113349603
Molecular FormulaC11H13N5O2
Molecular Weight247.26 g/mol
Exact Mass247.11
IUPAC NameN-(3-ethyl-1-methylpyrazol-4-yl)-2-nitropyridin-3-amine
SMILESCCc1nn(C)cc1Nc1cccnc1[N+](=O)[O-]
InChIInChI=1S/C11H13N5O2/c1-3-8-10(7-15(2)14-8)13-9-5-4-6-12-11(9)16(17)18/h4-7,13H,3H2,1-2H3
InChIKeyJVUMBYHZVRYWHI-UHFFFAOYSA-N
XLogP2.03
TPSA85.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.26
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

3-ethyl-1-methyl-N-(2-methyl-5-nitrophenyl)pyrazol-4-amine
CID 107463745
N-(3-ethyl-1-methylpyrazol-4-yl)-4-nitro-1,3-benzothiazol-5-amine
CID 107463570
8-N-(3-ethyl-1-methylpyrazol-4-yl)quinoline-5,8-diamine
CID 107462124
5-chloro-N-(3-ethyl-1-methylpyrazol-4-yl)-3-nitropyridin-2-amine
CID 103908163
3-bromo-N-(3-ethyl-1-methylpyrazol-4-yl)-5-nitropyridin-2-amine
CID 103908160
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-nitropyridin-2-amine
CID 112549966
N-(3-ethyl-1-methylpyrazol-4-yl)-6-hydrazinyl-3-nitropyridin-2-amine
CID 107465281
N-methyl-2-nitropyridin-3-amine
CID 555983
5-[(3-ethyl-1-methylpyrazol-4-yl)amino]-2-nitrobenzoic acid
CID 107463417
3-ethyl-N-(3-hydrazinyl-5-nitrophenyl)-1-methylpyrazol-4-amine
CID 107465279
3-N-(3-ethyl-1-methylpyrazol-4-yl)pyrazine-2,3-diamine
CID 107465112
4-[(3-ethyl-1-methylpyrazol-4-yl)amino]benzenesulfonamide
CID 107463553

Frequently Asked Questions

What is the IUPAC name of N-(3-ethyl-1-methylpyrazol-4-yl)-2-nitropyridin-3-amine?
The IUPAC name of N-(3-ethyl-1-methylpyrazol-4-yl)-2-nitropyridin-3-amine (CID 113349603) is N-(3-ethyl-1-methylpyrazol-4-yl)-2-nitropyridin-3-amine.
What is the SMILES notation for N-(3-ethyl-1-methylpyrazol-4-yl)-2-nitropyridin-3-amine?
The canonical SMILES for N-(3-ethyl-1-methylpyrazol-4-yl)-2-nitropyridin-3-amine is CCc1nn(C)cc1Nc1cccnc1[N+](=O)[O-].
What is the InChIKey of N-(3-ethyl-1-methylpyrazol-4-yl)-2-nitropyridin-3-amine?
The InChIKey is JVUMBYHZVRYWHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O2/c1-3-8-10(7-15(2)14-8)13-9-5-4-6-12-11(9)16(17)18/h4-7,13H,3H2,1-2H3.
What are the key properties of N-(3-ethyl-1-methylpyrazol-4-yl)-2-nitropyridin-3-amine?
N-(3-ethyl-1-methylpyrazol-4-yl)-2-nitropyridin-3-amine has a molecular weight of 247.26 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethyl-1-methylpyrazol-4-yl)-2-nitropyridin-3-amine is sourced from PubChem (CID 113349603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).