3-(3-methoxyphenyl)-N-[2-(methylsulfamoyl)ethyl]-1H-pyrazole-5-carboxamide

C14H18N4O4S — CID 70776702

IUPAC3-(3-methoxyphenyl)-N-[2-(methylsulfamoyl)ethyl]-1H-pyrazole-5-carboxamide
SMILESCNS(=O)(=O)CCNC(=O)c1cc(-c2cccc(OC)c2)n[nH]1
InChIInChI=1S/C14H18N4O4S/c1-15-23(20,21)7-6-16-14(19)13-9-12(17-18-13)10-4-3-5-11(8-10)22-2/h3-5,8-9,15H,6-7H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyCUNJVNDAIKYKEI-UHFFFAOYSA-N
MW338.39 g/mol
LogP0.36
Rot. Bonds7

About 3-(3-methoxyphenyl)-N-[2-(methylsulfamoyl)ethyl]-1H-pyrazole-5-carboxamide

3-(3-methoxyphenyl)-N-[2-(methylsulfamoyl)ethyl]-1H-pyrazole-5-carboxamide (PubChem CID 70776702) has the molecular formula C14H18N4O4S and a molecular weight of 338.39 g/mol. Its IUPAC name is 3-(3-methoxyphenyl)-N-[2-(methylsulfamoyl)ethyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(3-methoxyphenyl)-N-[2-(methylsulfamoyl)ethyl]-1H-pyrazole-5-carboxamide
PubChem CID70776702
Molecular FormulaC14H18N4O4S
Molecular Weight338.39 g/mol
Exact Mass338.10
IUPAC Name3-(3-methoxyphenyl)-N-[2-(methylsulfamoyl)ethyl]-1H-pyrazole-5-carboxamide
SMILESCNS(=O)(=O)CCNC(=O)c1cc(-c2cccc(OC)c2)n[nH]1
InChIInChI=1S/C14H18N4O4S/c1-15-23(20,21)7-6-16-14(19)13-9-12(17-18-13)10-4-3-5-11(8-10)22-2/h3-5,8-9,15H,6-7H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyCUNJVNDAIKYKEI-UHFFFAOYSA-N
XLogP0.36
TPSA113.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.39
LogP ≤ 50.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-fluorophenyl)methyl]-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 19509626
3-(3-methoxyphenyl)-N-[3-(5-methylpyrazol-1-yl)propyl]-1H-pyrazole-5-carboxamide
CID 19509808
3-(3-methoxyphenyl)-N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]-1H-pyrazole-5-carboxamide
CID 121059097
N-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 70770906
N-cyclohexyl-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 19509722
N-[(2,5-dimethylpyrazol-3-yl)methyl]-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 19294391
3-(3-methoxyphenyl)-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-1H-pyrazole-5-carboxamide
CID 70760747
N-[4-(2,4-difluorophenoxy)but-2-ynyl]-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 90577593
N-[(2S)-2-(dimethylamino)-2-(4-methylphenyl)ethyl]-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 97134220
4-(3-methoxyphenyl)-2-oxo-N-propyl-1H-pyrimidine-6-carboxamide
CID 110332321
N-[2-(4-cyclopropyl-6-oxopyrimidin-1-yl)ethyl]-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 121120033
N-(5-ethylsulfonyl-2-hydroxyphenyl)-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 19509906

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxyphenyl)-N-[2-(methylsulfamoyl)ethyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-(3-methoxyphenyl)-N-[2-(methylsulfamoyl)ethyl]-1H-pyrazole-5-carboxamide (CID 70776702) is 3-(3-methoxyphenyl)-N-[2-(methylsulfamoyl)ethyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-(3-methoxyphenyl)-N-[2-(methylsulfamoyl)ethyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-(3-methoxyphenyl)-N-[2-(methylsulfamoyl)ethyl]-1H-pyrazole-5-carboxamide is CNS(=O)(=O)CCNC(=O)c1cc(-c2cccc(OC)c2)n[nH]1.
What is the InChIKey of 3-(3-methoxyphenyl)-N-[2-(methylsulfamoyl)ethyl]-1H-pyrazole-5-carboxamide?
The InChIKey is CUNJVNDAIKYKEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O4S/c1-15-23(20,21)7-6-16-14(19)13-9-12(17-18-13)10-4-3-5-11(8-10)22-2/h3-5,8-9,15H,6-7H2,1-2H3,(H,16,19)(H,17,18).
What are the key properties of 3-(3-methoxyphenyl)-N-[2-(methylsulfamoyl)ethyl]-1H-pyrazole-5-carboxamide?
3-(3-methoxyphenyl)-N-[2-(methylsulfamoyl)ethyl]-1H-pyrazole-5-carboxamide has a molecular weight of 338.39 g/mol, XLogP of 0.36, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxyphenyl)-N-[2-(methylsulfamoyl)ethyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 70776702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).