N-(4-chloro-2-methylphenyl)-3-[4-(dimethylsulfamoyl)-3,5-dimethylpyrazol-1-yl]propanamide

C17H23ClN4O3S — CID 50794695

IUPACN-(4-chloro-2-methylphenyl)-3-[4-(dimethylsulfamoyl)-3,5-dimethylpyrazol-1-yl]propanamide
SMILESCc1cc(Cl)ccc1NC(=O)CCn1nc(C)c(S(=O)(=O)N(C)C)c1C
InChIInChI=1S/C17H23ClN4O3S/c1-11-10-14(18)6-7-15(11)19-16(23)8-9-22-13(3)17(12(2)20-22)26(24,25)21(4)5/h6-7,10H,8-9H2,1-5H3,(H,19,23)
InChIKeyPUVATBNHFWHTLH-UHFFFAOYSA-N
MW398.92 g/mol
LogP2.74
Rot. Bonds6

About N-(4-chloro-2-methylphenyl)-3-[4-(dimethylsulfamoyl)-3,5-dimethylpyrazol-1-yl]propanamide

N-(4-chloro-2-methylphenyl)-3-[4-(dimethylsulfamoyl)-3,5-dimethylpyrazol-1-yl]propanamide (PubChem CID 50794695) has the molecular formula C17H23ClN4O3S and a molecular weight of 398.92 g/mol. Its IUPAC name is N-(4-chloro-2-methylphenyl)-3-[4-(dimethylsulfamoyl)-3,5-dimethylpyrazol-1-yl]propanamide.

Molecular Properties

Compound NameN-(4-chloro-2-methylphenyl)-3-[4-(dimethylsulfamoyl)-3,5-dimethylpyrazol-1-yl]propanamide
PubChem CID50794695
Molecular FormulaC17H23ClN4O3S
Molecular Weight398.92 g/mol
Exact Mass398.12
IUPAC NameN-(4-chloro-2-methylphenyl)-3-[4-(dimethylsulfamoyl)-3,5-dimethylpyrazol-1-yl]propanamide
SMILESCc1cc(Cl)ccc1NC(=O)CCn1nc(C)c(S(=O)(=O)N(C)C)c1C
InChIInChI=1S/C17H23ClN4O3S/c1-11-10-14(18)6-7-15(11)19-16(23)8-9-22-13(3)17(12(2)20-22)26(24,25)21(4)5/h6-7,10H,8-9H2,1-5H3,(H,19,23)
InChIKeyPUVATBNHFWHTLH-UHFFFAOYSA-N
XLogP2.74
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.92
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[4-(dimethylsulfamoyl)-3,5-dimethylpyrazol-1-yl]-N-(4-fluoro-2-methylphenyl)propanamide
CID 50794645
N-(3-chloro-4-methylphenyl)-3-[4-(dimethylsulfamoyl)-3,5-dimethylpyrazol-1-yl]propanamide
CID 50794676
N-(3-chloro-2-methylphenyl)-3-[4-(dimethylsulfamoyl)-3,5-dimethylpyrazol-1-yl]propanamide
CID 50794675
N-(5-chloro-2-methylphenyl)-3-[3,5-dimethyl-4-(4-methylpiperidin-1-yl)sulfonylpyrazol-1-yl]propanamide
CID 46345111
N-(2,4-dimethylphenyl)-3-(3,5-dimethyl-4-piperidin-1-ylsulfonylpyrazol-1-yl)propanamide
CID 50794579
N-(3,4-dimethylphenyl)-2-[4-(dimethylsulfamoyl)-3,5-dimethylpyrazol-1-yl]acetamide
CID 2559924
3-[4-(dimethylsulfamoyl)-3,5-dimethylpyrazol-1-yl]-N-[(4-fluorophenyl)methyl]propanamide
CID 50794639
N-(5-chloro-2-methylphenyl)-3-(3,5-dimethyl-4-nitropyrazol-1-yl)propanamide
CID 19557685
N-(4-chloro-2-hydroxyphenyl)-3-(3,5-dimethyl-4-nitropyrazol-1-yl)propanamide
CID 167904761
N-(4-chloro-2-methylphenyl)-2-(dimethylamino)acetamide
CID 25250427
4-(4-chloro-2-methylanilino)-4-oxobutanoic acid
CID 731480
N-(4-chloro-2-methylphenyl)-3-(diethylamino)propanamide;hydrochloride
CID 3066358

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methylphenyl)-3-[4-(dimethylsulfamoyl)-3,5-dimethylpyrazol-1-yl]propanamide?
The IUPAC name of N-(4-chloro-2-methylphenyl)-3-[4-(dimethylsulfamoyl)-3,5-dimethylpyrazol-1-yl]propanamide (CID 50794695) is N-(4-chloro-2-methylphenyl)-3-[4-(dimethylsulfamoyl)-3,5-dimethylpyrazol-1-yl]propanamide.
What is the SMILES notation for N-(4-chloro-2-methylphenyl)-3-[4-(dimethylsulfamoyl)-3,5-dimethylpyrazol-1-yl]propanamide?
The canonical SMILES for N-(4-chloro-2-methylphenyl)-3-[4-(dimethylsulfamoyl)-3,5-dimethylpyrazol-1-yl]propanamide is Cc1cc(Cl)ccc1NC(=O)CCn1nc(C)c(S(=O)(=O)N(C)C)c1C.
What is the InChIKey of N-(4-chloro-2-methylphenyl)-3-[4-(dimethylsulfamoyl)-3,5-dimethylpyrazol-1-yl]propanamide?
The InChIKey is PUVATBNHFWHTLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN4O3S/c1-11-10-14(18)6-7-15(11)19-16(23)8-9-22-13(3)17(12(2)20-22)26(24,25)21(4)5/h6-7,10H,8-9H2,1-5H3,(H,19,23).
What are the key properties of N-(4-chloro-2-methylphenyl)-3-[4-(dimethylsulfamoyl)-3,5-dimethylpyrazol-1-yl]propanamide?
N-(4-chloro-2-methylphenyl)-3-[4-(dimethylsulfamoyl)-3,5-dimethylpyrazol-1-yl]propanamide has a molecular weight of 398.92 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methylphenyl)-3-[4-(dimethylsulfamoyl)-3,5-dimethylpyrazol-1-yl]propanamide is sourced from PubChem (CID 50794695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).