3-ethyl-1-methyl-N-[2-(2-methylmorpholin-4-yl)-2-thiophen-2-ylethyl]-4-nitropyrazol-5-amine

C17H25N5O3S — CID 133441446

IUPAC3-ethyl-1-methyl-N-[2-(2-methylmorpholin-4-yl)-2-thiophen-2-ylethyl]-4-nitropyrazol-5-amine
SMILESCCc1nn(C)c(NCC(c2cccs2)N2CCOC(C)C2)c1[N+](=O)[O-]
InChIInChI=1S/C17H25N5O3S/c1-4-13-16(22(23)24)17(20(3)19-13)18-10-14(15-6-5-9-26-15)21-7-8-25-12(2)11-21/h5-6,9,12,14,18H,4,7-8,10-11H2,1-3H3
InChIKeyFLXOXIDFNFANLA-UHFFFAOYSA-N
MW379.49 g/mol
LogP2.83
Rot. Bonds7

About 3-ethyl-1-methyl-N-[2-(2-methylmorpholin-4-yl)-2-thiophen-2-ylethyl]-4-nitropyrazol-5-amine

3-ethyl-1-methyl-N-[2-(2-methylmorpholin-4-yl)-2-thiophen-2-ylethyl]-4-nitropyrazol-5-amine (PubChem CID 133441446) has the molecular formula C17H25N5O3S and a molecular weight of 379.49 g/mol. Its IUPAC name is 3-ethyl-1-methyl-N-[2-(2-methylmorpholin-4-yl)-2-thiophen-2-ylethyl]-4-nitropyrazol-5-amine.

Molecular Properties

Compound Name3-ethyl-1-methyl-N-[2-(2-methylmorpholin-4-yl)-2-thiophen-2-ylethyl]-4-nitropyrazol-5-amine
PubChem CID133441446
Molecular FormulaC17H25N5O3S
Molecular Weight379.49 g/mol
Exact Mass379.17
IUPAC Name3-ethyl-1-methyl-N-[2-(2-methylmorpholin-4-yl)-2-thiophen-2-ylethyl]-4-nitropyrazol-5-amine
SMILESCCc1nn(C)c(NCC(c2cccs2)N2CCOC(C)C2)c1[N+](=O)[O-]
InChIInChI=1S/C17H25N5O3S/c1-4-13-16(22(23)24)17(20(3)19-13)18-10-14(15-6-5-9-26-15)21-7-8-25-12(2)11-21/h5-6,9,12,14,18H,4,7-8,10-11H2,1-3H3
InChIKeyFLXOXIDFNFANLA-UHFFFAOYSA-N
XLogP2.83
TPSA85.46 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.49
LogP ≤ 52.83
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'}

Analyze 3-ethyl-1-methyl-N-[2-(2-methylmorpholin-4-yl)-2-thiophen-2-ylethyl]-4-nitropyrazol-5-amine with MolForge

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Related Compounds

N-[(2R)-2-[(2R)-2-methylmorpholin-4-yl]-2-thiophen-2-ylethyl]pyrimidin-2-amine
CID 98774946
4-methyl-N-[(2R)-2-[(2R)-2-methylmorpholin-4-yl]-2-thiophen-2-ylethyl]pyrimidin-2-amine
CID 95773118
3-ethyl-1-methyl-4-nitro-N-(1-thiophen-2-ylbutyl)pyrazol-5-amine
CID 66016189
6-[[2-(2-methylmorpholin-4-yl)-2-thiophen-2-ylethyl]amino]pyridine-2-carbonitrile
CID 122132155
(2S)-2-[(2S)-2-methylmorpholin-4-yl]-N-[(1-methylpyrrol-2-yl)methyl]-2-thiophen-2-ylethanamine
CID 95774005
3-ethylsulfanyl-N-[(2R)-2-[(2R)-2-methylmorpholin-4-yl]-2-thiophen-2-ylethyl]propanamide
CID 97058927
2-(2-methylmorpholin-4-yl)-N-(1H-pyrrol-3-ylmethyl)-2-thiophen-2-ylethanamine
CID 119155808
2-methyl-1-[2-(2-methylmorpholin-4-yl)-2-thiophen-2-ylethyl]-3-(2-methylsulfanylethyl)guanidine
CID 111966339
N-[2-(2-methylmorpholin-4-yl)-2-thiophen-2-ylethyl]-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine
CID 86934746
4,4-dimethyl-5-[[(2R)-2-[(2R)-2-methylmorpholin-4-yl]-2-thiophen-2-ylethyl]amino]pentanenitrile
CID 98768142
1-ethyl-3-[2-(2-methylmorpholin-4-yl)-2-thiophen-2-ylethyl]-2-(thiophen-2-ylmethyl)guanidine;hydroiodide
CID 111966252
2-methyl-1-[2-(2-methylmorpholin-4-yl)-2-thiophen-2-ylethyl]-3-(oxolan-2-ylmethyl)guanidine
CID 111966061

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-methyl-N-[2-(2-methylmorpholin-4-yl)-2-thiophen-2-ylethyl]-4-nitropyrazol-5-amine?
The IUPAC name of 3-ethyl-1-methyl-N-[2-(2-methylmorpholin-4-yl)-2-thiophen-2-ylethyl]-4-nitropyrazol-5-amine (CID 133441446) is 3-ethyl-1-methyl-N-[2-(2-methylmorpholin-4-yl)-2-thiophen-2-ylethyl]-4-nitropyrazol-5-amine.
What is the SMILES notation for 3-ethyl-1-methyl-N-[2-(2-methylmorpholin-4-yl)-2-thiophen-2-ylethyl]-4-nitropyrazol-5-amine?
The canonical SMILES for 3-ethyl-1-methyl-N-[2-(2-methylmorpholin-4-yl)-2-thiophen-2-ylethyl]-4-nitropyrazol-5-amine is CCc1nn(C)c(NCC(c2cccs2)N2CCOC(C)C2)c1[N+](=O)[O-].
What is the InChIKey of 3-ethyl-1-methyl-N-[2-(2-methylmorpholin-4-yl)-2-thiophen-2-ylethyl]-4-nitropyrazol-5-amine?
The InChIKey is FLXOXIDFNFANLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O3S/c1-4-13-16(22(23)24)17(20(3)19-13)18-10-14(15-6-5-9-26-15)21-7-8-25-12(2)11-21/h5-6,9,12,14,18H,4,7-8,10-11H2,1-3H3.
What are the key properties of 3-ethyl-1-methyl-N-[2-(2-methylmorpholin-4-yl)-2-thiophen-2-ylethyl]-4-nitropyrazol-5-amine?
3-ethyl-1-methyl-N-[2-(2-methylmorpholin-4-yl)-2-thiophen-2-ylethyl]-4-nitropyrazol-5-amine has a molecular weight of 379.49 g/mol, XLogP of 2.83, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-methyl-N-[2-(2-methylmorpholin-4-yl)-2-thiophen-2-ylethyl]-4-nitropyrazol-5-amine is sourced from PubChem (CID 133441446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).