N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-4-(dimethylsulfamoyl)benzamide

C17H22N4O3S — CID 4796391

IUPACN-[2-(1-cyclopropylethyl)pyrazol-3-yl]-4-(dimethylsulfamoyl)benzamide
SMILESCC(C1CC1)n1nccc1NC(=O)c1ccc(S(=O)(=O)N(C)C)cc1
InChIInChI=1S/C17H22N4O3S/c1-12(13-4-5-13)21-16(10-11-18-21)19-17(22)14-6-8-15(9-7-14)25(23,24)20(2)3/h6-13H,4-5H2,1-3H3,(H,19,22)
InChIKeyDLCYAYANIBBOHA-UHFFFAOYSA-N
MW362.46 g/mol
LogP2.36
Rot. Bonds6

About N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-4-(dimethylsulfamoyl)benzamide

N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-4-(dimethylsulfamoyl)benzamide (PubChem CID 4796391) has the molecular formula C17H22N4O3S and a molecular weight of 362.46 g/mol. Its IUPAC name is N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-4-(dimethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[2-(1-cyclopropylethyl)pyrazol-3-yl]-4-(dimethylsulfamoyl)benzamide
PubChem CID4796391
Molecular FormulaC17H22N4O3S
Molecular Weight362.46 g/mol
Exact Mass362.14
IUPAC NameN-[2-(1-cyclopropylethyl)pyrazol-3-yl]-4-(dimethylsulfamoyl)benzamide
SMILESCC(C1CC1)n1nccc1NC(=O)c1ccc(S(=O)(=O)N(C)C)cc1
InChIInChI=1S/C17H22N4O3S/c1-12(13-4-5-13)21-16(10-11-18-21)19-17(22)14-6-8-15(9-7-14)25(23,24)20(2)3/h6-13H,4-5H2,1-3H3,(H,19,22)
InChIKeyDLCYAYANIBBOHA-UHFFFAOYSA-N
XLogP2.36
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.46
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-4-(dimethylsulfamoyl)benzamide?
The IUPAC name of N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-4-(dimethylsulfamoyl)benzamide (CID 4796391) is N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-4-(dimethylsulfamoyl)benzamide.
What is the SMILES notation for N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-4-(dimethylsulfamoyl)benzamide?
The canonical SMILES for N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-4-(dimethylsulfamoyl)benzamide is CC(C1CC1)n1nccc1NC(=O)c1ccc(S(=O)(=O)N(C)C)cc1.
What is the InChIKey of N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-4-(dimethylsulfamoyl)benzamide?
The InChIKey is DLCYAYANIBBOHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3S/c1-12(13-4-5-13)21-16(10-11-18-21)19-17(22)14-6-8-15(9-7-14)25(23,24)20(2)3/h6-13H,4-5H2,1-3H3,(H,19,22).
What are the key properties of N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-4-(dimethylsulfamoyl)benzamide?
N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-4-(dimethylsulfamoyl)benzamide has a molecular weight of 362.46 g/mol, XLogP of 2.36, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-4-(dimethylsulfamoyl)benzamide is sourced from PubChem (CID 4796391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).