1-ethyl-3-methyl-4-nitro-N-(1-thiophen-2-ylbutyl)pyrazol-5-amine

C14H20N4O2S — CID 66010845

IUPAC1-ethyl-3-methyl-4-nitro-N-(1-thiophen-2-ylbutyl)pyrazol-5-amine
SMILESCCCC(Nc1c([N+](=O)[O-])c(C)nn1CC)c1cccs1
InChIInChI=1S/C14H20N4O2S/c1-4-7-11(12-8-6-9-21-12)15-14-13(18(19)20)10(3)16-17(14)5-2/h6,8-9,11,15H,4-5,7H2,1-3H3
InChIKeyLVLXPNJQOXCVTR-UHFFFAOYSA-N
MW308.41 g/mol
LogP4.13
Rot. Bonds7

About 1-ethyl-3-methyl-4-nitro-N-(1-thiophen-2-ylbutyl)pyrazol-5-amine

1-ethyl-3-methyl-4-nitro-N-(1-thiophen-2-ylbutyl)pyrazol-5-amine (PubChem CID 66010845) has the molecular formula C14H20N4O2S and a molecular weight of 308.41 g/mol. Its IUPAC name is 1-ethyl-3-methyl-4-nitro-N-(1-thiophen-2-ylbutyl)pyrazol-5-amine.

Molecular Properties

Compound Name1-ethyl-3-methyl-4-nitro-N-(1-thiophen-2-ylbutyl)pyrazol-5-amine
PubChem CID66010845
Molecular FormulaC14H20N4O2S
Molecular Weight308.41 g/mol
Exact Mass308.13
IUPAC Name1-ethyl-3-methyl-4-nitro-N-(1-thiophen-2-ylbutyl)pyrazol-5-amine
SMILESCCCC(Nc1c([N+](=O)[O-])c(C)nn1CC)c1cccs1
InChIInChI=1S/C14H20N4O2S/c1-4-7-11(12-8-6-9-21-12)15-14-13(18(19)20)10(3)16-17(14)5-2/h6,8-9,11,15H,4-5,7H2,1-3H3
InChIKeyLVLXPNJQOXCVTR-UHFFFAOYSA-N
XLogP4.13
TPSA72.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.41
LogP ≤ 54.13
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

3-ethyl-1-methyl-4-nitro-N-(1-thiophen-2-ylbutyl)pyrazol-5-amine
CID 66016189
1-ethyl-3-methyl-4-nitro-N-(2-thiophen-2-ylethyl)pyrazol-5-amine
CID 66012775
1-ethyl-3-methyl-N-[1-(4-methylphenyl)ethyl]-4-nitropyrazol-5-amine
CID 66011430
2-[(1-ethyl-3-methyl-4-nitropyrazol-5-yl)amino]propane-1,3-diol
CID 66012422
1-ethyl-N-[1-(furan-2-yl)ethyl]-3-methyl-4-nitropyrazol-5-amine
CID 66011416
2-N-(1-ethyl-3-methyl-4-nitropyrazol-5-yl)hexane-1,2-diamine
CID 80704894
5-chloro-2-methyl-4-nitro-N-(1-thiophen-2-ylbutyl)aniline
CID 115555811
N-but-3-yn-2-yl-1-ethyl-3-methyl-4-nitropyrazol-5-amine
CID 114417991
1-(1-ethyl-3-methyl-4-nitropyrazol-5-yl)-4-thiophen-2-ylpiperazine
CID 122145561
2-[(1,3-dimethyl-4-nitropyrazol-5-yl)amino]-2-thiophen-2-ylacetic acid
CID 115284409
4-fluoro-2-nitro-N-(1-thiophen-2-ylbutyl)aniline
CID 114449231
3-ethyl-1-methyl-5-N-(1-thiophen-2-ylbutyl)pyrazole-4,5-diamine
CID 66014606

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-methyl-4-nitro-N-(1-thiophen-2-ylbutyl)pyrazol-5-amine?
The IUPAC name of 1-ethyl-3-methyl-4-nitro-N-(1-thiophen-2-ylbutyl)pyrazol-5-amine (CID 66010845) is 1-ethyl-3-methyl-4-nitro-N-(1-thiophen-2-ylbutyl)pyrazol-5-amine.
What is the SMILES notation for 1-ethyl-3-methyl-4-nitro-N-(1-thiophen-2-ylbutyl)pyrazol-5-amine?
The canonical SMILES for 1-ethyl-3-methyl-4-nitro-N-(1-thiophen-2-ylbutyl)pyrazol-5-amine is CCCC(Nc1c([N+](=O)[O-])c(C)nn1CC)c1cccs1.
What is the InChIKey of 1-ethyl-3-methyl-4-nitro-N-(1-thiophen-2-ylbutyl)pyrazol-5-amine?
The InChIKey is LVLXPNJQOXCVTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2S/c1-4-7-11(12-8-6-9-21-12)15-14-13(18(19)20)10(3)16-17(14)5-2/h6,8-9,11,15H,4-5,7H2,1-3H3.
What are the key properties of 1-ethyl-3-methyl-4-nitro-N-(1-thiophen-2-ylbutyl)pyrazol-5-amine?
1-ethyl-3-methyl-4-nitro-N-(1-thiophen-2-ylbutyl)pyrazol-5-amine has a molecular weight of 308.41 g/mol, XLogP of 4.13, 7 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-N-(1-thiophen-2-ylbutyl)pyrazol-5-amine is sourced from PubChem (CID 66010845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).