N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-4-methylsulfonylthiophene-2-carboxamide

C13H17N3O3S2 — CID 138035987

IUPACN-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-4-methylsulfonylthiophene-2-carboxamide
SMILESCc1n[nH]c(C)c1CCNC(=O)c1cc(S(C)(=O)=O)cs1
InChIInChI=1S/C13H17N3O3S2/c1-8-11(9(2)16-15-8)4-5-14-13(17)12-6-10(7-20-12)21(3,18)19/h6-7H,4-5H2,1-3H3,(H,14,17)(H,15,16)
InChIKeyNLFFYEPUGBYKFV-UHFFFAOYSA-N
MW327.43 g/mol
LogP1.46
Rot. Bonds5

About N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-4-methylsulfonylthiophene-2-carboxamide

N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-4-methylsulfonylthiophene-2-carboxamide (PubChem CID 138035987) has the molecular formula C13H17N3O3S2 and a molecular weight of 327.43 g/mol. Its IUPAC name is N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-4-methylsulfonylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-4-methylsulfonylthiophene-2-carboxamide
PubChem CID138035987
Molecular FormulaC13H17N3O3S2
Molecular Weight327.43 g/mol
Exact Mass327.07
IUPAC NameN-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-4-methylsulfonylthiophene-2-carboxamide
SMILESCc1n[nH]c(C)c1CCNC(=O)c1cc(S(C)(=O)=O)cs1
InChIInChI=1S/C13H17N3O3S2/c1-8-11(9(2)16-15-8)4-5-14-13(17)12-6-10(7-20-12)21(3,18)19/h6-7H,4-5H2,1-3H3,(H,14,17)(H,15,16)
InChIKeyNLFFYEPUGBYKFV-UHFFFAOYSA-N
XLogP1.46
TPSA91.92 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-6-(methylsulfamoyl)pyridine-3-carboxamide
CID 126828084
N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-5-methyl-1,3-oxazole-2-carboxamide
CID 112529920
N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 110742816
2,4-dichloro-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]benzamide
CID 110717146
2-bromo-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]benzamide
CID 110717101
N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-2,3,4-trifluorobenzamide
CID 110717138
N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 131936437
N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-4-(pentanoylamino)benzamide
CID 50958341
1-(2,2-dimethylpropyl)-3-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]urea
CID 110747748
1-tert-butyl-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]pyrrole-3-carboxamide
CID 90649604
1-(2-chlorophenyl)-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]pyrazole-3-carboxamide
CID 59633405
N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-2-pyridin-4-ylpyrimidine-5-carboxamide
CID 72936927

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-4-methylsulfonylthiophene-2-carboxamide?
The IUPAC name of N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-4-methylsulfonylthiophene-2-carboxamide (CID 138035987) is N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-4-methylsulfonylthiophene-2-carboxamide.
What is the SMILES notation for N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-4-methylsulfonylthiophene-2-carboxamide?
The canonical SMILES for N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-4-methylsulfonylthiophene-2-carboxamide is Cc1n[nH]c(C)c1CCNC(=O)c1cc(S(C)(=O)=O)cs1.
What is the InChIKey of N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-4-methylsulfonylthiophene-2-carboxamide?
The InChIKey is NLFFYEPUGBYKFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3S2/c1-8-11(9(2)16-15-8)4-5-14-13(17)12-6-10(7-20-12)21(3,18)19/h6-7H,4-5H2,1-3H3,(H,14,17)(H,15,16).
What are the key properties of N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-4-methylsulfonylthiophene-2-carboxamide?
N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-4-methylsulfonylthiophene-2-carboxamide has a molecular weight of 327.43 g/mol, XLogP of 1.46, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-4-methylsulfonylthiophene-2-carboxamide is sourced from PubChem (CID 138035987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).