6-methoxy-N-[1-(2-methoxyethyl)pyrazol-4-yl]-3-nitropyridin-2-amine

C12H15N5O4 — CID 115321490

IUPAC6-methoxy-N-[1-(2-methoxyethyl)pyrazol-4-yl]-3-nitropyridin-2-amine
SMILESCOCCn1cc(Nc2nc(OC)ccc2[N+](=O)[O-])cn1
InChIInChI=1S/C12H15N5O4/c1-20-6-5-16-8-9(7-13-16)14-12-10(17(18)19)3-4-11(15-12)21-2/h3-4,7-8H,5-6H2,1-2H3,(H,14,15)
InChIKeyHPGZLBITWXUGRV-UHFFFAOYSA-N
MW293.28 g/mol
LogP1.58
Rot. Bonds7

About 6-methoxy-N-[1-(2-methoxyethyl)pyrazol-4-yl]-3-nitropyridin-2-amine

6-methoxy-N-[1-(2-methoxyethyl)pyrazol-4-yl]-3-nitropyridin-2-amine (PubChem CID 115321490) has the molecular formula C12H15N5O4 and a molecular weight of 293.28 g/mol. Its IUPAC name is 6-methoxy-N-[1-(2-methoxyethyl)pyrazol-4-yl]-3-nitropyridin-2-amine.

Molecular Properties

Compound Name6-methoxy-N-[1-(2-methoxyethyl)pyrazol-4-yl]-3-nitropyridin-2-amine
PubChem CID115321490
Molecular FormulaC12H15N5O4
Molecular Weight293.28 g/mol
Exact Mass293.11
IUPAC Name6-methoxy-N-[1-(2-methoxyethyl)pyrazol-4-yl]-3-nitropyridin-2-amine
SMILESCOCCn1cc(Nc2nc(OC)ccc2[N+](=O)[O-])cn1
InChIInChI=1S/C12H15N5O4/c1-20-6-5-16-8-9(7-13-16)14-12-10(17(18)19)3-4-11(15-12)21-2/h3-4,7-8H,5-6H2,1-2H3,(H,14,15)
InChIKeyHPGZLBITWXUGRV-UHFFFAOYSA-N
XLogP1.58
TPSA104.34 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.28
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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-[1-(2-methoxyethyl)pyrazol-4-yl]-6-methyl-3-nitropyridin-2-amine
CID 81139034
N-[1-(2-methoxyethyl)pyrazol-4-yl]-5-methyl-3-nitropyridin-2-amine
CID 66280045
N-(5-fluoro-2-nitrophenyl)-1-(2-methoxyethyl)pyrazol-4-amine
CID 62375922
3-bromo-N-[1-(2-methoxyethyl)pyrazol-4-yl]-4-methyl-5-nitropyridin-2-amine
CID 104507899
methyl 6-[(1-ethylpyrazol-4-yl)amino]-5-nitropyridine-2-carboxylate
CID 114403655
N-(3-chloro-2-nitrophenyl)-1-(2-methoxyethyl)pyrazol-4-amine
CID 104835836
methyl 4-[(6-methoxy-3-nitro-2-pyridinyl)amino]benzoate
CID 171495729
4-[(6-methoxy-3-nitro-2-pyridinyl)amino]benzoic acid
CID 115321182
3-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]-2-nitrobenzonitrile
CID 104717790
1-ethyl-N-(3-methoxy-4-nitrophenyl)pyrazol-4-amine
CID 63671776
N,N'-bis(6-methoxy-3-nitro-2-pyridinyl)heptane-1,7-diamine
CID 110172492
1-methoxy-3-[(6-methoxy-3-nitro-2-pyridinyl)amino]propan-2-ol
CID 79889536

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-[1-(2-methoxyethyl)pyrazol-4-yl]-3-nitropyridin-2-amine?
The IUPAC name of 6-methoxy-N-[1-(2-methoxyethyl)pyrazol-4-yl]-3-nitropyridin-2-amine (CID 115321490) is 6-methoxy-N-[1-(2-methoxyethyl)pyrazol-4-yl]-3-nitropyridin-2-amine.
What is the SMILES notation for 6-methoxy-N-[1-(2-methoxyethyl)pyrazol-4-yl]-3-nitropyridin-2-amine?
The canonical SMILES for 6-methoxy-N-[1-(2-methoxyethyl)pyrazol-4-yl]-3-nitropyridin-2-amine is COCCn1cc(Nc2nc(OC)ccc2[N+](=O)[O-])cn1.
What is the InChIKey of 6-methoxy-N-[1-(2-methoxyethyl)pyrazol-4-yl]-3-nitropyridin-2-amine?
The InChIKey is HPGZLBITWXUGRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O4/c1-20-6-5-16-8-9(7-13-16)14-12-10(17(18)19)3-4-11(15-12)21-2/h3-4,7-8H,5-6H2,1-2H3,(H,14,15).
What are the key properties of 6-methoxy-N-[1-(2-methoxyethyl)pyrazol-4-yl]-3-nitropyridin-2-amine?
6-methoxy-N-[1-(2-methoxyethyl)pyrazol-4-yl]-3-nitropyridin-2-amine has a molecular weight of 293.28 g/mol, XLogP of 1.58, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-[1-(2-methoxyethyl)pyrazol-4-yl]-3-nitropyridin-2-amine is sourced from PubChem (CID 115321490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).