N-[2-(3,5-dimethyl-4-thiophen-3-ylpyrazol-1-yl)ethyl]cyclopropanesulfonamide

C14H19N3O2S2 — CID 122161697

IUPACN-[2-(3,5-dimethyl-4-thiophen-3-ylpyrazol-1-yl)ethyl]cyclopropanesulfonamide
SMILESCc1nn(CCNS(=O)(=O)C2CC2)c(C)c1-c1ccsc1
InChIInChI=1S/C14H19N3O2S2/c1-10-14(12-5-8-20-9-12)11(2)17(16-10)7-6-15-21(18,19)13-3-4-13/h5,8-9,13,15H,3-4,6-7H2,1-2H3
InChIKeyRHIJCRCUOMKPOA-UHFFFAOYSA-N
MW325.46 g/mol
LogP2.31
Rot. Bonds6

About N-[2-(3,5-dimethyl-4-thiophen-3-ylpyrazol-1-yl)ethyl]cyclopropanesulfonamide

N-[2-(3,5-dimethyl-4-thiophen-3-ylpyrazol-1-yl)ethyl]cyclopropanesulfonamide (PubChem CID 122161697) has the molecular formula C14H19N3O2S2 and a molecular weight of 325.46 g/mol. Its IUPAC name is N-[2-(3,5-dimethyl-4-thiophen-3-ylpyrazol-1-yl)ethyl]cyclopropanesulfonamide.

Molecular Properties

Compound NameN-[2-(3,5-dimethyl-4-thiophen-3-ylpyrazol-1-yl)ethyl]cyclopropanesulfonamide
PubChem CID122161697
Molecular FormulaC14H19N3O2S2
Molecular Weight325.46 g/mol
Exact Mass325.09
IUPAC NameN-[2-(3,5-dimethyl-4-thiophen-3-ylpyrazol-1-yl)ethyl]cyclopropanesulfonamide
SMILESCc1nn(CCNS(=O)(=O)C2CC2)c(C)c1-c1ccsc1
InChIInChI=1S/C14H19N3O2S2/c1-10-14(12-5-8-20-9-12)11(2)17(16-10)7-6-15-21(18,19)13-3-4-13/h5,8-9,13,15H,3-4,6-7H2,1-2H3
InChIKeyRHIJCRCUOMKPOA-UHFFFAOYSA-N
XLogP2.31
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1,3,5-trimethyl-N-(thien-2-ylmethyl)-1H-pyrazole-4-sulfonamide
CID 3243813
N-{[1-cyclopentyl-5-(thiophen-2-yl)-1H-pyrazol-3-yl]methyl}-1-(4-fluorophenyl)methanesulfonamide
CID 71797472
N-{2-[3-(thiophen-2-yl)-1H-pyrazol-1-yl]ethyl}methanesulfonamide
CID 71808159
N-{2-[3-(thiophen-2-yl)-1H-pyrazol-1-yl]ethyl}cyclopropanesulfonamide
CID 71808160
N-{2-[3-(thiophen-2-yl)-1H-pyrazol-1-yl]ethyl}propane-1-sulfonamide
CID 71808161
N-(2-(3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl)ethyl)thiophene-2-sulfonamide
CID 72718589
N-{2-[5-cyclopropyl-3-(thiophen-2-yl)-1H-pyrazol-1-yl]ethyl}-1-(2-fluorophenyl)methanesulfonamide
CID 72718652
N-(2-(5-cyclopropyl-3-(thiophen-3-yl)-1H-pyrazol-1-yl)ethyl)ethanesulfonamide
CID 86266325
N-(2-(3-(thiophen-3-yl)-1H-pyrazol-1-yl)ethyl)propane-1-sulfonamide
CID 86266413
1-(2,5-difluorophenyl)-N-(2-(3-(thiophen-3-yl)-1H-pyrazol-1-yl)ethyl)methanesulfonamide
CID 91629211
N-[(1S,4S)-4-(1-benzyl-3,5-dimethylpyrazol-4-yl)cyclopent-2-en-1-yl]thiophene-2-sulfonamide
CID 40777611
N-[(1S,4S)-4-[1-(2-cyanoethyl)-3,5-dimethylpyrazol-4-yl]cyclopent-2-en-1-yl]thiophene-2-sulfonamide
CID 40780396

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethyl-4-thiophen-3-ylpyrazol-1-yl)ethyl]cyclopropanesulfonamide?
The IUPAC name of N-[2-(3,5-dimethyl-4-thiophen-3-ylpyrazol-1-yl)ethyl]cyclopropanesulfonamide (CID 122161697) is N-[2-(3,5-dimethyl-4-thiophen-3-ylpyrazol-1-yl)ethyl]cyclopropanesulfonamide.
What is the SMILES notation for N-[2-(3,5-dimethyl-4-thiophen-3-ylpyrazol-1-yl)ethyl]cyclopropanesulfonamide?
The canonical SMILES for N-[2-(3,5-dimethyl-4-thiophen-3-ylpyrazol-1-yl)ethyl]cyclopropanesulfonamide is Cc1nn(CCNS(=O)(=O)C2CC2)c(C)c1-c1ccsc1.
What is the InChIKey of N-[2-(3,5-dimethyl-4-thiophen-3-ylpyrazol-1-yl)ethyl]cyclopropanesulfonamide?
The InChIKey is RHIJCRCUOMKPOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2S2/c1-10-14(12-5-8-20-9-12)11(2)17(16-10)7-6-15-21(18,19)13-3-4-13/h5,8-9,13,15H,3-4,6-7H2,1-2H3.
What are the key properties of N-[2-(3,5-dimethyl-4-thiophen-3-ylpyrazol-1-yl)ethyl]cyclopropanesulfonamide?
N-[2-(3,5-dimethyl-4-thiophen-3-ylpyrazol-1-yl)ethyl]cyclopropanesulfonamide has a molecular weight of 325.46 g/mol, XLogP of 2.31, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethyl-4-thiophen-3-ylpyrazol-1-yl)ethyl]cyclopropanesulfonamide is sourced from PubChem (CID 122161697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).