4-nitro-N-(2-pyrazol-1-ylethyl)-2-pyrrolidin-1-ylsulfonylaniline

C15H19N5O4S — CID 133270385

IUPAC4-nitro-N-(2-pyrazol-1-ylethyl)-2-pyrrolidin-1-ylsulfonylaniline
SMILESO=[N+]([O-])c1ccc(NCCn2cccn2)c(S(=O)(=O)N2CCCC2)c1
InChIInChI=1S/C15H19N5O4S/c21-20(22)13-4-5-14(16-7-11-18-8-3-6-17-18)15(12-13)25(23,24)19-9-1-2-10-19/h3-6,8,12,16H,1-2,7,9-11H2
InChIKeyXDHDDCCBYWHQRA-UHFFFAOYSA-N
MW365.42 g/mol
LogP1.69
Rot. Bonds7

About 4-nitro-N-(2-pyrazol-1-ylethyl)-2-pyrrolidin-1-ylsulfonylaniline

4-nitro-N-(2-pyrazol-1-ylethyl)-2-pyrrolidin-1-ylsulfonylaniline (PubChem CID 133270385) has the molecular formula C15H19N5O4S and a molecular weight of 365.42 g/mol. Its IUPAC name is 4-nitro-N-(2-pyrazol-1-ylethyl)-2-pyrrolidin-1-ylsulfonylaniline.

Molecular Properties

Compound Name4-nitro-N-(2-pyrazol-1-ylethyl)-2-pyrrolidin-1-ylsulfonylaniline
PubChem CID133270385
Molecular FormulaC15H19N5O4S
Molecular Weight365.42 g/mol
Exact Mass365.12
IUPAC Name4-nitro-N-(2-pyrazol-1-ylethyl)-2-pyrrolidin-1-ylsulfonylaniline
SMILESO=[N+]([O-])c1ccc(NCCn2cccn2)c(S(=O)(=O)N2CCCC2)c1
InChIInChI=1S/C15H19N5O4S/c21-20(22)13-4-5-14(16-7-11-18-8-3-6-17-18)15(12-13)25(23,24)19-9-1-2-10-19/h3-6,8,12,16H,1-2,7,9-11H2
InChIKeyXDHDDCCBYWHQRA-UHFFFAOYSA-N
XLogP1.69
TPSA110.37 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.42
LogP ≤ 51.69
H-Bond Donors ≤ 51
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

N-ethyl-4-nitro-2-pyrrolidin-1-ylsulfonylaniline
CID 18074536
2-[2-(4-nitro-2-pyrrolidin-1-ylsulfonylanilino)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 47069005
N'-naphthalen-1-yl-N-(4-nitro-2-pyrrolidin-1-ylsulfonylphenyl)ethane-1,2-diamine
CID 4789527
4-nitro-N-(pyridin-3-ylmethyl)-2-pyrrolidin-1-ylsulfonylaniline
CID 51160226
N-[2-(3-fluorophenyl)ethyl]-4-nitro-2-pyrrolidin-1-ylsulfonylaniline
CID 34044359
N-[(2-methylphenyl)methyl]-4-nitro-2-pyrrolidin-1-ylsulfonylaniline
CID 18190437
N-[3-(2-methoxyethoxy)propyl]-4-nitro-2-pyrrolidin-1-ylsulfonylaniline
CID 18207941
N-(4-nitro-2-pyrrolidin-1-ylsulfonylphenyl)cycloheptanamine
CID 18074906
N-(4-methylphenyl)-4-nitro-2-pyrrolidin-1-ylsulfonylaniline
CID 18095005
2-(azepan-1-ylsulfonyl)-N-(cycloheptylideneamino)-4-nitroaniline
CID 4086650
(2S)-2-(4-nitro-2-pyrrolidin-1-ylsulfonylanilino)-3-pyridin-2-ylpropan-1-ol
CID 99794893
2-(azepan-1-ylsulfonyl)-4-nitro-N-[(Z)-pyridin-4-ylmethylideneamino]aniline
CID 6323562

Frequently Asked Questions

What is the IUPAC name of 4-nitro-N-(2-pyrazol-1-ylethyl)-2-pyrrolidin-1-ylsulfonylaniline?
The IUPAC name of 4-nitro-N-(2-pyrazol-1-ylethyl)-2-pyrrolidin-1-ylsulfonylaniline (CID 133270385) is 4-nitro-N-(2-pyrazol-1-ylethyl)-2-pyrrolidin-1-ylsulfonylaniline.
What is the SMILES notation for 4-nitro-N-(2-pyrazol-1-ylethyl)-2-pyrrolidin-1-ylsulfonylaniline?
The canonical SMILES for 4-nitro-N-(2-pyrazol-1-ylethyl)-2-pyrrolidin-1-ylsulfonylaniline is O=[N+]([O-])c1ccc(NCCn2cccn2)c(S(=O)(=O)N2CCCC2)c1.
What is the InChIKey of 4-nitro-N-(2-pyrazol-1-ylethyl)-2-pyrrolidin-1-ylsulfonylaniline?
The InChIKey is XDHDDCCBYWHQRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O4S/c21-20(22)13-4-5-14(16-7-11-18-8-3-6-17-18)15(12-13)25(23,24)19-9-1-2-10-19/h3-6,8,12,16H,1-2,7,9-11H2.
What are the key properties of 4-nitro-N-(2-pyrazol-1-ylethyl)-2-pyrrolidin-1-ylsulfonylaniline?
4-nitro-N-(2-pyrazol-1-ylethyl)-2-pyrrolidin-1-ylsulfonylaniline has a molecular weight of 365.42 g/mol, XLogP of 1.69, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-nitro-N-(2-pyrazol-1-ylethyl)-2-pyrrolidin-1-ylsulfonylaniline is sourced from PubChem (CID 133270385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).