N-[2-(5-cyclopropyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]-1-methylimidazole-4-sulfonamide

C16H19N5O2S2 — CID 72718654

IUPACN-[2-(5-cyclopropyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]-1-methylimidazole-4-sulfonamide
SMILESCn1cnc(S(=O)(=O)NCCn2nc(-c3cccs3)cc2C2CC2)c1
InChIInChI=1S/C16H19N5O2S2/c1-20-10-16(17-11-20)25(22,23)18-6-7-21-14(12-4-5-12)9-13(19-21)15-3-2-8-24-15/h2-3,8-12,18H,4-7H2,1H3
InChIKeyAEILYMQWLPSNHM-UHFFFAOYSA-N
MW377.50 g/mol
LogP2.20
Rot. Bonds7

About N-[2-(5-cyclopropyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]-1-methylimidazole-4-sulfonamide

N-[2-(5-cyclopropyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]-1-methylimidazole-4-sulfonamide (PubChem CID 72718654) has the molecular formula C16H19N5O2S2 and a molecular weight of 377.50 g/mol. Its IUPAC name is N-[2-(5-cyclopropyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]-1-methylimidazole-4-sulfonamide.

Molecular Properties

Compound NameN-[2-(5-cyclopropyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]-1-methylimidazole-4-sulfonamide
PubChem CID72718654
Molecular FormulaC16H19N5O2S2
Molecular Weight377.50 g/mol
Exact Mass377.10
IUPAC NameN-[2-(5-cyclopropyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]-1-methylimidazole-4-sulfonamide
SMILESCn1cnc(S(=O)(=O)NCCn2nc(-c3cccs3)cc2C2CC2)c1
InChIInChI=1S/C16H19N5O2S2/c1-20-10-16(17-11-20)25(22,23)18-6-7-21-14(12-4-5-12)9-13(19-21)15-3-2-8-24-15/h2-3,8-12,18H,4-7H2,1H3
InChIKeyAEILYMQWLPSNHM-UHFFFAOYSA-N
XLogP2.20
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.50
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-(5-cyclopropyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]-4-methoxy-2-methylbenzenesulfonamide
CID 72718644
N-[2-(5-cyclopropyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]-5-fluoro-2-methoxybenzenesulfonamide
CID 72718645
N-[2-(5-cyclopropyl-3-pyridin-4-ylpyrazol-1-yl)ethyl]thiophene-2-sulfonamide
CID 72718696
N-[2-(5-cyclopropyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]thiophene-3-carboxamide
CID 72718613
2-bromo-N-[2-(5-cyclopropyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]benzamide
CID 72718634
5-chloro-2-methyl-N-[2-(5-methyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]benzenesulfonamide
CID 121169942
2,5-dimethyl-N-[2-(5-methyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]benzenesulfonamide
CID 121169927
4-acetyl-N-[2-(5-methyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]benzenesulfonamide
CID 121169943
3-chloro-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]benzenesulfonamide
CID 16905803
N-[2-(5-methyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]cyclopropanecarboxamide
CID 121169632
2,4-difluoro-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]benzenesulfonamide
CID 16905802
N-[2-(3,5-dicyclopropylpyrazol-1-yl)ethyl]methanesulfonamide
CID 72718788

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-cyclopropyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]-1-methylimidazole-4-sulfonamide?
The IUPAC name of N-[2-(5-cyclopropyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]-1-methylimidazole-4-sulfonamide (CID 72718654) is N-[2-(5-cyclopropyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]-1-methylimidazole-4-sulfonamide.
What is the SMILES notation for N-[2-(5-cyclopropyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]-1-methylimidazole-4-sulfonamide?
The canonical SMILES for N-[2-(5-cyclopropyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]-1-methylimidazole-4-sulfonamide is Cn1cnc(S(=O)(=O)NCCn2nc(-c3cccs3)cc2C2CC2)c1.
What is the InChIKey of N-[2-(5-cyclopropyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]-1-methylimidazole-4-sulfonamide?
The InChIKey is AEILYMQWLPSNHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O2S2/c1-20-10-16(17-11-20)25(22,23)18-6-7-21-14(12-4-5-12)9-13(19-21)15-3-2-8-24-15/h2-3,8-12,18H,4-7H2,1H3.
What are the key properties of N-[2-(5-cyclopropyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]-1-methylimidazole-4-sulfonamide?
N-[2-(5-cyclopropyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]-1-methylimidazole-4-sulfonamide has a molecular weight of 377.50 g/mol, XLogP of 2.20, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-cyclopropyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]-1-methylimidazole-4-sulfonamide is sourced from PubChem (CID 72718654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).