1-ethyl-3-methyl-4-nitro-5-(2-pyrrolidin-2-ylpyrrolidin-1-yl)pyrazole

C14H23N5O2 — CID 66013021

IUPAC1-ethyl-3-methyl-4-nitro-5-(2-pyrrolidin-2-ylpyrrolidin-1-yl)pyrazole
SMILESCCn1nc(C)c([N+](=O)[O-])c1N1CCCC1C1CCCN1
InChIInChI=1S/C14H23N5O2/c1-3-18-14(13(19(20)21)10(2)16-18)17-9-5-7-12(17)11-6-4-8-15-11/h11-12,15H,3-9H2,1-2H3
InChIKeyQYJALLTUGRXWKV-UHFFFAOYSA-N
MW293.37 g/mol
LogP1.84
Rot. Bonds4

About 1-ethyl-3-methyl-4-nitro-5-(2-pyrrolidin-2-ylpyrrolidin-1-yl)pyrazole

1-ethyl-3-methyl-4-nitro-5-(2-pyrrolidin-2-ylpyrrolidin-1-yl)pyrazole (PubChem CID 66013021) has the molecular formula C14H23N5O2 and a molecular weight of 293.37 g/mol. Its IUPAC name is 1-ethyl-3-methyl-4-nitro-5-(2-pyrrolidin-2-ylpyrrolidin-1-yl)pyrazole.

Molecular Properties

Compound Name1-ethyl-3-methyl-4-nitro-5-(2-pyrrolidin-2-ylpyrrolidin-1-yl)pyrazole
PubChem CID66013021
Molecular FormulaC14H23N5O2
Molecular Weight293.37 g/mol
Exact Mass293.19
IUPAC Name1-ethyl-3-methyl-4-nitro-5-(2-pyrrolidin-2-ylpyrrolidin-1-yl)pyrazole
SMILESCCn1nc(C)c([N+](=O)[O-])c1N1CCCC1C1CCCN1
InChIInChI=1S/C14H23N5O2/c1-3-18-14(13(19(20)21)10(2)16-18)17-9-5-7-12(17)11-6-4-8-15-11/h11-12,15H,3-9H2,1-2H3
InChIKeyQYJALLTUGRXWKV-UHFFFAOYSA-N
XLogP1.84
TPSA76.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 51.84
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'}

Analyze 1-ethyl-3-methyl-4-nitro-5-(2-pyrrolidin-2-ylpyrrolidin-1-yl)pyrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(1-ethyl-3-methyl-4-nitropyrazol-5-yl)piperidine-2-carbaldehyde
CID 66012079
1-methyl-4-nitro-5-(2-pyrrolidin-2-ylpyrrolidin-1-yl)imidazole
CID 62275463
1-ethyl-3-methyl-4-nitro-5-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]pyrazole
CID 124628538
(3R)-1-(1-ethyl-3-methyl-4-nitropyrazol-5-yl)pyrrolidin-3-ol
CID 104892733
1-cyclopropyl-6-(1-ethyl-3-methyl-4-nitropyrazol-5-yl)-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine
CID 122145567
1-[1-(1-ethyl-3-methyl-4-nitropyrazol-5-yl)piperidin-4-yl]ethanol
CID 106837306
5-methyl-4-nitro-2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)pyridine
CID 83259903
1-ethyl-3,5-dimethyl-4-nitropyrazole
CID 3546708
1-(1-ethyl-3-methyl-4-nitropyrazol-5-yl)azetidin-3-ol
CID 66012841
1-[1-(1-ethyl-3-methyl-4-nitropyrazol-5-yl)pyrrolidin-3-yl]ethanamine
CID 103976800
1-(3-chloro-2-nitrophenyl)-2-pyrrolidin-2-ylpyrrolidine
CID 104839330
1-ethyl-3-methyl-5-(3-methylpyrazol-1-yl)-4-nitropyrazole
CID 66013271

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-methyl-4-nitro-5-(2-pyrrolidin-2-ylpyrrolidin-1-yl)pyrazole?
The IUPAC name of 1-ethyl-3-methyl-4-nitro-5-(2-pyrrolidin-2-ylpyrrolidin-1-yl)pyrazole (CID 66013021) is 1-ethyl-3-methyl-4-nitro-5-(2-pyrrolidin-2-ylpyrrolidin-1-yl)pyrazole.
What is the SMILES notation for 1-ethyl-3-methyl-4-nitro-5-(2-pyrrolidin-2-ylpyrrolidin-1-yl)pyrazole?
The canonical SMILES for 1-ethyl-3-methyl-4-nitro-5-(2-pyrrolidin-2-ylpyrrolidin-1-yl)pyrazole is CCn1nc(C)c([N+](=O)[O-])c1N1CCCC1C1CCCN1.
What is the InChIKey of 1-ethyl-3-methyl-4-nitro-5-(2-pyrrolidin-2-ylpyrrolidin-1-yl)pyrazole?
The InChIKey is QYJALLTUGRXWKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O2/c1-3-18-14(13(19(20)21)10(2)16-18)17-9-5-7-12(17)11-6-4-8-15-11/h11-12,15H,3-9H2,1-2H3.
What are the key properties of 1-ethyl-3-methyl-4-nitro-5-(2-pyrrolidin-2-ylpyrrolidin-1-yl)pyrazole?
1-ethyl-3-methyl-4-nitro-5-(2-pyrrolidin-2-ylpyrrolidin-1-yl)pyrazole has a molecular weight of 293.37 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-methyl-4-nitro-5-(2-pyrrolidin-2-ylpyrrolidin-1-yl)pyrazole is sourced from PubChem (CID 66013021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).