3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[3-(methanesulfonamido)-4-methoxyphenyl]propanamide

C20H30N4O4S — CID 37065850

IUPAC3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[3-(methanesulfonamido)-4-methoxyphenyl]propanamide
SMILESCOc1ccc(NC(=O)CCc2c(C)nn(CC(C)C)c2C)cc1NS(C)(=O)=O
InChIInChI=1S/C20H30N4O4S/c1-13(2)12-24-15(4)17(14(3)22-24)8-10-20(25)21-16-7-9-19(28-5)18(11-16)23-29(6,26)27/h7,9,11,13,23H,8,10,12H2,1-6H3,(H,21,25)
InChIKeyRRKMGARHVPBQEH-UHFFFAOYSA-N
MW422.55 g/mol
LogP3.11
Rot. Bonds9

About 3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[3-(methanesulfonamido)-4-methoxyphenyl]propanamide

3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[3-(methanesulfonamido)-4-methoxyphenyl]propanamide (PubChem CID 37065850) has the molecular formula C20H30N4O4S and a molecular weight of 422.55 g/mol. Its IUPAC name is 3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[3-(methanesulfonamido)-4-methoxyphenyl]propanamide.

Molecular Properties

Compound Name3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[3-(methanesulfonamido)-4-methoxyphenyl]propanamide
PubChem CID37065850
Molecular FormulaC20H30N4O4S
Molecular Weight422.55 g/mol
Exact Mass422.20
IUPAC Name3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[3-(methanesulfonamido)-4-methoxyphenyl]propanamide
SMILESCOc1ccc(NC(=O)CCc2c(C)nn(CC(C)C)c2C)cc1NS(C)(=O)=O
InChIInChI=1S/C20H30N4O4S/c1-13(2)12-24-15(4)17(14(3)22-24)8-10-20(25)21-16-7-9-19(28-5)18(11-16)23-29(6,26)27/h7,9,11,13,23H,8,10,12H2,1-6H3,(H,21,25)
InChIKeyRRKMGARHVPBQEH-UHFFFAOYSA-N
XLogP3.11
TPSA102.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.55
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-chloro-4-fluorophenyl)-3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanamide
CID 9077447
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CID 60581004
N-[3-(methanesulfonamido)-4-methoxyphenyl]-3-phenylpropanamide
CID 134019079
3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(3-ethylphenyl)propanamide
CID 8530903
3-[3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanoylamino]benzamide
CID 51237592
3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(1H-indazol-5-yl)propanamide
CID 134050842
N-(5-amino-2-methylphenyl)-3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanamide;hydrochloride
CID 120568461
N-[4-(cyclopropylcarbamoylamino)phenyl]-3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanamide
CID 37294430
N-(3-acetamido-2-methylphenyl)-3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanamide
CID 37067897
2-[5-[3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanoylamino]indol-1-yl]acetic acid
CID 119235395
3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[4-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]propanamide
CID 55427343
N-(2,4-dichlorophenyl)-3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanamide
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Frequently Asked Questions

What is the IUPAC name of 3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[3-(methanesulfonamido)-4-methoxyphenyl]propanamide?
The IUPAC name of 3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[3-(methanesulfonamido)-4-methoxyphenyl]propanamide (CID 37065850) is 3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[3-(methanesulfonamido)-4-methoxyphenyl]propanamide.
What is the SMILES notation for 3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[3-(methanesulfonamido)-4-methoxyphenyl]propanamide?
The canonical SMILES for 3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[3-(methanesulfonamido)-4-methoxyphenyl]propanamide is COc1ccc(NC(=O)CCc2c(C)nn(CC(C)C)c2C)cc1NS(C)(=O)=O.
What is the InChIKey of 3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[3-(methanesulfonamido)-4-methoxyphenyl]propanamide?
The InChIKey is RRKMGARHVPBQEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O4S/c1-13(2)12-24-15(4)17(14(3)22-24)8-10-20(25)21-16-7-9-19(28-5)18(11-16)23-29(6,26)27/h7,9,11,13,23H,8,10,12H2,1-6H3,(H,21,25).
What are the key properties of 3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[3-(methanesulfonamido)-4-methoxyphenyl]propanamide?
3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[3-(methanesulfonamido)-4-methoxyphenyl]propanamide has a molecular weight of 422.55 g/mol, XLogP of 3.11, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[3-(methanesulfonamido)-4-methoxyphenyl]propanamide is sourced from PubChem (CID 37065850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).