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

C11H12ClN5O2 — CID 103908163

IUPAC5-chloro-N-(3-ethyl-1-methylpyrazol-4-yl)-3-nitropyridin-2-amine
SMILESCCc1nn(C)cc1Nc1ncc(Cl)cc1[N+](=O)[O-]
InChIInChI=1S/C11H12ClN5O2/c1-3-8-9(6-16(2)15-8)14-11-10(17(18)19)4-7(12)5-13-11/h4-6H,3H2,1-2H3,(H,13,14)
InChIKeyGNTFONCBTIVLRF-UHFFFAOYSA-N
MW281.70 g/mol
LogP2.68
Rot. Bonds4

About 5-chloro-N-(3-ethyl-1-methylpyrazol-4-yl)-3-nitropyridin-2-amine

5-chloro-N-(3-ethyl-1-methylpyrazol-4-yl)-3-nitropyridin-2-amine (PubChem CID 103908163) has the molecular formula C11H12ClN5O2 and a molecular weight of 281.70 g/mol. Its IUPAC name is 5-chloro-N-(3-ethyl-1-methylpyrazol-4-yl)-3-nitropyridin-2-amine.

Molecular Properties

Compound Name5-chloro-N-(3-ethyl-1-methylpyrazol-4-yl)-3-nitropyridin-2-amine
PubChem CID103908163
Molecular FormulaC11H12ClN5O2
Molecular Weight281.70 g/mol
Exact Mass281.07
IUPAC Name5-chloro-N-(3-ethyl-1-methylpyrazol-4-yl)-3-nitropyridin-2-amine
SMILESCCc1nn(C)cc1Nc1ncc(Cl)cc1[N+](=O)[O-]
InChIInChI=1S/C11H12ClN5O2/c1-3-8-9(6-16(2)15-8)14-11-10(17(18)19)4-7(12)5-13-11/h4-6H,3H2,1-2H3,(H,13,14)
InChIKeyGNTFONCBTIVLRF-UHFFFAOYSA-N
XLogP2.68
TPSA85.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.70
LogP ≤ 52.68
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-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
5-chloro-N-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methyl]-3-nitropyridin-2-amine
CID 133445726
N-(3-ethyl-1-methylpyrazol-4-yl)-2-nitropyridin-3-amine
CID 113349603
N-(3-ethyl-1-methylpyrazol-4-yl)-6-hydrazinyl-3-nitropyridin-2-amine
CID 107465281
3-ethyl-1-methyl-N-(2-methyl-5-nitrophenyl)pyrazol-4-amine
CID 107463745
2-chloro-N-(3-ethyl-1-methylpyrazol-4-yl)-5-methylpyrimidin-4-amine
CID 107464314
5-chloro-N-(2-methylbutan-2-yl)-3-nitropyridin-2-amine
CID 115746996
5-amino-2-[(3-ethyl-1-methylpyrazol-4-yl)amino]pyridine-3-carbonitrile
CID 107462194
3-ethyl-N-(3-hydrazinyl-5-nitrophenyl)-1-methylpyrazol-4-amine
CID 107465279
5-[(3-ethyl-1-methylpyrazol-4-yl)amino]-2-nitrobenzoic acid
CID 107463417
N-[(2,4-difluoro-5-nitrophenyl)methyl]-3-ethyl-1-methylpyrazol-4-amine
CID 107462425

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(3-ethyl-1-methylpyrazol-4-yl)-3-nitropyridin-2-amine?
The IUPAC name of 5-chloro-N-(3-ethyl-1-methylpyrazol-4-yl)-3-nitropyridin-2-amine (CID 103908163) is 5-chloro-N-(3-ethyl-1-methylpyrazol-4-yl)-3-nitropyridin-2-amine.
What is the SMILES notation for 5-chloro-N-(3-ethyl-1-methylpyrazol-4-yl)-3-nitropyridin-2-amine?
The canonical SMILES for 5-chloro-N-(3-ethyl-1-methylpyrazol-4-yl)-3-nitropyridin-2-amine is CCc1nn(C)cc1Nc1ncc(Cl)cc1[N+](=O)[O-].
What is the InChIKey of 5-chloro-N-(3-ethyl-1-methylpyrazol-4-yl)-3-nitropyridin-2-amine?
The InChIKey is GNTFONCBTIVLRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN5O2/c1-3-8-9(6-16(2)15-8)14-11-10(17(18)19)4-7(12)5-13-11/h4-6H,3H2,1-2H3,(H,13,14).
What are the key properties of 5-chloro-N-(3-ethyl-1-methylpyrazol-4-yl)-3-nitropyridin-2-amine?
5-chloro-N-(3-ethyl-1-methylpyrazol-4-yl)-3-nitropyridin-2-amine has a molecular weight of 281.70 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(3-ethyl-1-methylpyrazol-4-yl)-3-nitropyridin-2-amine is sourced from PubChem (CID 103908163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).