3-(3,5-dimethyl-4-pyrrolidin-1-ylsulfonylpyrazol-1-yl)-N-(4-methoxyphenyl)propanamide

C19H26N4O4S — CID 46345015

IUPAC3-(3,5-dimethyl-4-pyrrolidin-1-ylsulfonylpyrazol-1-yl)-N-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(NC(=O)CCn2nc(C)c(S(=O)(=O)N3CCCC3)c2C)cc1
InChIInChI=1S/C19H26N4O4S/c1-14-19(28(25,26)22-11-4-5-12-22)15(2)23(21-14)13-10-18(24)20-16-6-8-17(27-3)9-7-16/h6-9H,4-5,10-13H2,1-3H3,(H,20,24)
InChIKeyJDHVBDAEWDIODE-UHFFFAOYSA-N
MW406.51 g/mol
LogP2.32
Rot. Bonds7

About 3-(3,5-dimethyl-4-pyrrolidin-1-ylsulfonylpyrazol-1-yl)-N-(4-methoxyphenyl)propanamide

3-(3,5-dimethyl-4-pyrrolidin-1-ylsulfonylpyrazol-1-yl)-N-(4-methoxyphenyl)propanamide (PubChem CID 46345015) has the molecular formula C19H26N4O4S and a molecular weight of 406.51 g/mol. Its IUPAC name is 3-(3,5-dimethyl-4-pyrrolidin-1-ylsulfonylpyrazol-1-yl)-N-(4-methoxyphenyl)propanamide.

Molecular Properties

Compound Name3-(3,5-dimethyl-4-pyrrolidin-1-ylsulfonylpyrazol-1-yl)-N-(4-methoxyphenyl)propanamide
PubChem CID46345015
Molecular FormulaC19H26N4O4S
Molecular Weight406.51 g/mol
Exact Mass406.17
IUPAC Name3-(3,5-dimethyl-4-pyrrolidin-1-ylsulfonylpyrazol-1-yl)-N-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(NC(=O)CCn2nc(C)c(S(=O)(=O)N3CCCC3)c2C)cc1
InChIInChI=1S/C19H26N4O4S/c1-14-19(28(25,26)22-11-4-5-12-22)15(2)23(21-14)13-10-18(24)20-16-6-8-17(27-3)9-7-16/h6-9H,4-5,10-13H2,1-3H3,(H,20,24)
InChIKeyJDHVBDAEWDIODE-UHFFFAOYSA-N
XLogP2.32
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.51
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,5-dimethoxyphenyl)-3-(3,5-dimethyl-4-pyrrolidin-1-ylsulfonylpyrazol-1-yl)propanamide
CID 46345046
N-(2,4-dimethoxyphenyl)-3-(3,5-dimethyl-4-piperidin-1-ylsulfonylpyrazol-1-yl)propanamide
CID 50794622
N-(3,4-dimethylphenyl)-3-(3,5-dimethyl-4-pyrrolidin-1-ylsulfonylpyrazol-1-yl)propanamide
CID 46345049
3-(3,5-dimethyl-4-piperidin-1-ylsulfonylpyrazol-1-yl)-N-(2-methoxyphenyl)propanamide
CID 50794574
3-[3,5-dimethyl-4-(4-methylpiperidin-1-yl)sulfonylpyrazol-1-yl]-N-(4-ethoxyphenyl)propanamide
CID 46345116
N-(2,4-dimethylphenyl)-3-(3,5-dimethyl-4-piperidin-1-ylsulfonylpyrazol-1-yl)propanamide
CID 50794579
3-(3,5-dimethyl-4-pyrrolidin-1-ylsulfonylpyrazol-1-yl)-N-[(4-ethoxyphenyl)methyl]propanamide
CID 46345095
3-(3,5-dimethyl-4-pyrrolidin-1-ylsulfonylpyrazol-1-yl)-N-[(4-methylphenyl)methyl]propanamide
CID 45106996
N-(3-bromophenyl)-3-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)propanamide
CID 46345192
N-(3-acetylphenyl)-3-[3,5-dimethyl-4-(4-methylpiperidin-1-yl)sulfonylpyrazol-1-yl]propanamide
CID 46345123
N-[4-(azepan-1-ylsulfonyl)phenyl]-3-(3,5-dimethylpyrazol-1-yl)propanamide
CID 30659870
3-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)-N-(2-ethylphenyl)propanamide
CID 46345140

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethyl-4-pyrrolidin-1-ylsulfonylpyrazol-1-yl)-N-(4-methoxyphenyl)propanamide?
The IUPAC name of 3-(3,5-dimethyl-4-pyrrolidin-1-ylsulfonylpyrazol-1-yl)-N-(4-methoxyphenyl)propanamide (CID 46345015) is 3-(3,5-dimethyl-4-pyrrolidin-1-ylsulfonylpyrazol-1-yl)-N-(4-methoxyphenyl)propanamide.
What is the SMILES notation for 3-(3,5-dimethyl-4-pyrrolidin-1-ylsulfonylpyrazol-1-yl)-N-(4-methoxyphenyl)propanamide?
The canonical SMILES for 3-(3,5-dimethyl-4-pyrrolidin-1-ylsulfonylpyrazol-1-yl)-N-(4-methoxyphenyl)propanamide is COc1ccc(NC(=O)CCn2nc(C)c(S(=O)(=O)N3CCCC3)c2C)cc1.
What is the InChIKey of 3-(3,5-dimethyl-4-pyrrolidin-1-ylsulfonylpyrazol-1-yl)-N-(4-methoxyphenyl)propanamide?
The InChIKey is JDHVBDAEWDIODE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O4S/c1-14-19(28(25,26)22-11-4-5-12-22)15(2)23(21-14)13-10-18(24)20-16-6-8-17(27-3)9-7-16/h6-9H,4-5,10-13H2,1-3H3,(H,20,24).
What are the key properties of 3-(3,5-dimethyl-4-pyrrolidin-1-ylsulfonylpyrazol-1-yl)-N-(4-methoxyphenyl)propanamide?
3-(3,5-dimethyl-4-pyrrolidin-1-ylsulfonylpyrazol-1-yl)-N-(4-methoxyphenyl)propanamide has a molecular weight of 406.51 g/mol, XLogP of 2.32, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethyl-4-pyrrolidin-1-ylsulfonylpyrazol-1-yl)-N-(4-methoxyphenyl)propanamide is sourced from PubChem (CID 46345015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).