methyl 1-(1-methyl-4-nitropyrazol-3-yl)pyrrolidine-3-carboxylate

C10H14N4O4 — CID 103080510

IUPACmethyl 1-(1-methyl-4-nitropyrazol-3-yl)pyrrolidine-3-carboxylate
SMILESCOC(=O)C1CCN(c2nn(C)cc2[N+](=O)[O-])C1
InChIInChI=1S/C10H14N4O4/c1-12-6-8(14(16)17)9(11-12)13-4-3-7(5-13)10(15)18-2/h6-7H,3-5H2,1-2H3
InChIKeyLICRAWAETFYDLA-UHFFFAOYSA-N
MW254.25 g/mol
LogP0.33
Rot. Bonds3

About methyl 1-(1-methyl-4-nitropyrazol-3-yl)pyrrolidine-3-carboxylate

methyl 1-(1-methyl-4-nitropyrazol-3-yl)pyrrolidine-3-carboxylate (PubChem CID 103080510) has the molecular formula C10H14N4O4 and a molecular weight of 254.25 g/mol. Its IUPAC name is methyl 1-(1-methyl-4-nitropyrazol-3-yl)pyrrolidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-(1-methyl-4-nitropyrazol-3-yl)pyrrolidine-3-carboxylate
PubChem CID103080510
Molecular FormulaC10H14N4O4
Molecular Weight254.25 g/mol
Exact Mass254.10
IUPAC Namemethyl 1-(1-methyl-4-nitropyrazol-3-yl)pyrrolidine-3-carboxylate
SMILESCOC(=O)C1CCN(c2nn(C)cc2[N+](=O)[O-])C1
InChIInChI=1S/C10H14N4O4/c1-12-6-8(14(16)17)9(11-12)13-4-3-7(5-13)10(15)18-2/h6-7H,3-5H2,1-2H3
InChIKeyLICRAWAETFYDLA-UHFFFAOYSA-N
XLogP0.33
TPSA90.50 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 50.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

ethyl 1-(1-methyl-4-nitropyrazol-3-yl)piperidine-4-carboxylate
CID 103080492
methyl 1-(2-methyl-6-nitrophenyl)pyrrolidine-3-carboxylate
CID 78918362
methyl 1-(5-methoxy-2-nitrophenyl)pyrrolidine-3-carboxylate
CID 79033589
methyl 1-(3-methyl-4-nitrophenyl)pyrrolidine-3-carboxylate
CID 112731130
[1-(1-methyl-4-nitropyrazol-3-yl)azetidin-3-yl]methanol
CID 103080430
methyl 4-(3-morpholin-4-yl-4-nitropyrazol-1-yl)cyclohexane-1-carboxylate
CID 146598694
methyl 1-(4-methyl-3-oxopyrazin-2-yl)pyrrolidine-3-carboxylate
CID 79033439
methyl 1-(6-methyl-5-nitro-2-pyridinyl)piperidine-3-carboxylate
CID 80711750
2-[4-(1-methyl-4-nitropyrazol-3-yl)piperazin-1-yl]acetic acid
CID 103079255
methyl (3S)-1-[5-(hydroxymethyl)-2-nitrophenyl]piperidine-3-carboxylate
CID 133438070
ethyl 1-(1-methyl-4-nitropyrazol-3-yl)pyrrolidine-2-carboxylate
CID 103080502
methyl 6-(3-methoxypyrrolidin-1-yl)-5-nitropyridine-2-carboxylate
CID 103534307

Frequently Asked Questions

What is the IUPAC name of methyl 1-(1-methyl-4-nitropyrazol-3-yl)pyrrolidine-3-carboxylate?
The IUPAC name of methyl 1-(1-methyl-4-nitropyrazol-3-yl)pyrrolidine-3-carboxylate (CID 103080510) is methyl 1-(1-methyl-4-nitropyrazol-3-yl)pyrrolidine-3-carboxylate.
What is the SMILES notation for methyl 1-(1-methyl-4-nitropyrazol-3-yl)pyrrolidine-3-carboxylate?
The canonical SMILES for methyl 1-(1-methyl-4-nitropyrazol-3-yl)pyrrolidine-3-carboxylate is COC(=O)C1CCN(c2nn(C)cc2[N+](=O)[O-])C1.
What is the InChIKey of methyl 1-(1-methyl-4-nitropyrazol-3-yl)pyrrolidine-3-carboxylate?
The InChIKey is LICRAWAETFYDLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O4/c1-12-6-8(14(16)17)9(11-12)13-4-3-7(5-13)10(15)18-2/h6-7H,3-5H2,1-2H3.
What are the key properties of methyl 1-(1-methyl-4-nitropyrazol-3-yl)pyrrolidine-3-carboxylate?
methyl 1-(1-methyl-4-nitropyrazol-3-yl)pyrrolidine-3-carboxylate has a molecular weight of 254.25 g/mol, XLogP of 0.33, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(1-methyl-4-nitropyrazol-3-yl)pyrrolidine-3-carboxylate is sourced from PubChem (CID 103080510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).