1-(2-methoxyethyl)-4-nitropyrazol-3-amine

C6H10N4O3 — CID 122604147

IUPAC1-(2-methoxyethyl)-4-nitropyrazol-3-amine
SMILESCOCCn1cc([N+](=O)[O-])c(N)n1
InChIInChI=1S/C6H10N4O3/c1-13-3-2-9-4-5(10(11)12)6(7)8-9/h4H,2-3H2,1H3,(H2,7,8)
InChIKeyABKTTYDKKQSDSJ-UHFFFAOYSA-N
MW186.17 g/mol
LogP0.02
Rot. Bonds4

About 1-(2-methoxyethyl)-4-nitropyrazol-3-amine

1-(2-methoxyethyl)-4-nitropyrazol-3-amine (PubChem CID 122604147) has the molecular formula C6H10N4O3 and a molecular weight of 186.17 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-4-nitropyrazol-3-amine.

Molecular Properties

Compound Name1-(2-methoxyethyl)-4-nitropyrazol-3-amine
PubChem CID122604147
Molecular FormulaC6H10N4O3
Molecular Weight186.17 g/mol
Exact Mass186.08
IUPAC Name1-(2-methoxyethyl)-4-nitropyrazol-3-amine
SMILESCOCCn1cc([N+](=O)[O-])c(N)n1
InChIInChI=1S/C6H10N4O3/c1-13-3-2-9-4-5(10(11)12)6(7)8-9/h4H,2-3H2,1H3,(H2,7,8)
InChIKeyABKTTYDKKQSDSJ-UHFFFAOYSA-N
XLogP0.02
TPSA96.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.17
LogP ≤ 50.02
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

4-nitro-1-propylpyrazol-3-amine
CID 122604128
1-[2-(dimethylamino)propyl]-4-nitropyrazol-3-amine
CID 122604140
1-ethyl-3-methoxy-4-nitropyrazole
CID 163333241
3-(3-methoxy-4-nitropyrazol-1-yl)propanehydrazide
CID 7018447
tert-butyl N-[1-(3-methoxypropyl)-4-nitropyrazol-3-yl]carbamate
CID 122610173
4-bromo-1-(2-methoxyethyl)-3-methylpyrazole
CID 141450417
N-(5-fluoro-2-nitrophenyl)-1-(2-methoxyethyl)pyrazol-4-amine
CID 62375922
1-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethyl]-4-nitropyrazole-3-carboxamide
CID 138695018
3-(3-methoxy-4-nitropyrazol-1-yl)-N-propan-2-ylpropanamide
CID 19558098
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
6-methoxy-N-[1-(2-methoxyethyl)pyrazol-4-yl]-3-nitropyridin-2-amine
CID 115321490

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-4-nitropyrazol-3-amine?
The IUPAC name of 1-(2-methoxyethyl)-4-nitropyrazol-3-amine (CID 122604147) is 1-(2-methoxyethyl)-4-nitropyrazol-3-amine.
What is the SMILES notation for 1-(2-methoxyethyl)-4-nitropyrazol-3-amine?
The canonical SMILES for 1-(2-methoxyethyl)-4-nitropyrazol-3-amine is COCCn1cc([N+](=O)[O-])c(N)n1.
What is the InChIKey of 1-(2-methoxyethyl)-4-nitropyrazol-3-amine?
The InChIKey is ABKTTYDKKQSDSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4O3/c1-13-3-2-9-4-5(10(11)12)6(7)8-9/h4H,2-3H2,1H3,(H2,7,8).
What are the key properties of 1-(2-methoxyethyl)-4-nitropyrazol-3-amine?
1-(2-methoxyethyl)-4-nitropyrazol-3-amine has a molecular weight of 186.17 g/mol, XLogP of 0.02, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-4-nitropyrazol-3-amine is sourced from PubChem (CID 122604147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).