3-amino-N-cyclopropyl-1-ethyl-N-(thiophen-2-ylmethyl)pyrazole-4-sulfonamide

C13H18N4O2S2 — CID 61111603

IUPAC3-amino-N-cyclopropyl-1-ethyl-N-(thiophen-2-ylmethyl)pyrazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)N(Cc2cccs2)C2CC2)c(N)n1
InChIInChI=1S/C13H18N4O2S2/c1-2-16-9-12(13(14)15-16)21(18,19)17(10-5-6-10)8-11-4-3-7-20-11/h3-4,7,9-10H,2,5-6,8H2,1H3,(H2,14,15)
InChIKeySZMDRZJCHGLMHA-UHFFFAOYSA-N
MW326.45 g/mol
LogP1.90
Rot. Bonds6

About 3-amino-N-cyclopropyl-1-ethyl-N-(thiophen-2-ylmethyl)pyrazole-4-sulfonamide

3-amino-N-cyclopropyl-1-ethyl-N-(thiophen-2-ylmethyl)pyrazole-4-sulfonamide (PubChem CID 61111603) has the molecular formula C13H18N4O2S2 and a molecular weight of 326.45 g/mol. Its IUPAC name is 3-amino-N-cyclopropyl-1-ethyl-N-(thiophen-2-ylmethyl)pyrazole-4-sulfonamide.

Molecular Properties

Compound Name3-amino-N-cyclopropyl-1-ethyl-N-(thiophen-2-ylmethyl)pyrazole-4-sulfonamide
PubChem CID61111603
Molecular FormulaC13H18N4O2S2
Molecular Weight326.45 g/mol
Exact Mass326.09
IUPAC Name3-amino-N-cyclopropyl-1-ethyl-N-(thiophen-2-ylmethyl)pyrazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)N(Cc2cccs2)C2CC2)c(N)n1
InChIInChI=1S/C13H18N4O2S2/c1-2-16-9-12(13(14)15-16)21(18,19)17(10-5-6-10)8-11-4-3-7-20-11/h3-4,7,9-10H,2,5-6,8H2,1H3,(H2,14,15)
InChIKeySZMDRZJCHGLMHA-UHFFFAOYSA-N
XLogP1.90
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.45
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-N-cyclopentyl-N,1-diethylpyrazole-4-sulfonamide
CID 54922474
3-amino-1-ethyl-N-(2-thiophen-2-ylethyl)pyrazole-4-sulfonamide
CID 60814017
N-cyclopropyl-2-fluoro-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 35389306
5-amino-2-bromo-N-cyclopropyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 65207195
N-cyclopropyl-4-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 47158476
N-cyclopropyl-2-hydrazinyl-N-(thiophen-2-ylmethyl)pyridine-3-sulfonamide
CID 61449336
N-cyclopropyl-N-(thiophen-2-ylmethyl)propane-1-sulfonamide
CID 61383748
3-amino-N-cyclopentyl-1-ethyl-N-methylpyrazole-4-sulfonamide
CID 60808791
2-cyano-N-cyclopropyl-N-(thiophen-2-ylmethyl)pyridine-3-sulfonamide
CID 106545411
3-amino-N-cyclopropyl-N-ethyl-1-methylpyrazole-4-sulfonamide
CID 60807969
2-(aminomethyl)-N-cyclopropyl-4-methyl-N-(thiophen-2-ylmethyl)thiophene-3-sulfonamide
CID 102752582
2-ethoxy-N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 90610877

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-cyclopropyl-1-ethyl-N-(thiophen-2-ylmethyl)pyrazole-4-sulfonamide?
The IUPAC name of 3-amino-N-cyclopropyl-1-ethyl-N-(thiophen-2-ylmethyl)pyrazole-4-sulfonamide (CID 61111603) is 3-amino-N-cyclopropyl-1-ethyl-N-(thiophen-2-ylmethyl)pyrazole-4-sulfonamide.
What is the SMILES notation for 3-amino-N-cyclopropyl-1-ethyl-N-(thiophen-2-ylmethyl)pyrazole-4-sulfonamide?
The canonical SMILES for 3-amino-N-cyclopropyl-1-ethyl-N-(thiophen-2-ylmethyl)pyrazole-4-sulfonamide is CCn1cc(S(=O)(=O)N(Cc2cccs2)C2CC2)c(N)n1.
What is the InChIKey of 3-amino-N-cyclopropyl-1-ethyl-N-(thiophen-2-ylmethyl)pyrazole-4-sulfonamide?
The InChIKey is SZMDRZJCHGLMHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2S2/c1-2-16-9-12(13(14)15-16)21(18,19)17(10-5-6-10)8-11-4-3-7-20-11/h3-4,7,9-10H,2,5-6,8H2,1H3,(H2,14,15).
What are the key properties of 3-amino-N-cyclopropyl-1-ethyl-N-(thiophen-2-ylmethyl)pyrazole-4-sulfonamide?
3-amino-N-cyclopropyl-1-ethyl-N-(thiophen-2-ylmethyl)pyrazole-4-sulfonamide has a molecular weight of 326.45 g/mol, XLogP of 1.90, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-cyclopropyl-1-ethyl-N-(thiophen-2-ylmethyl)pyrazole-4-sulfonamide is sourced from PubChem (CID 61111603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).