3-(3,5-dimethyl-4-pyrrolidin-1-ylsulfonylpyrazol-1-yl)-N-[(4-ethoxyphenyl)methyl]propanamide

C21H30N4O4S — CID 46345095

IUPAC3-(3,5-dimethyl-4-pyrrolidin-1-ylsulfonylpyrazol-1-yl)-N-[(4-ethoxyphenyl)methyl]propanamide
SMILESCCOc1ccc(CNC(=O)CCn2nc(C)c(S(=O)(=O)N3CCCC3)c2C)cc1
InChIInChI=1S/C21H30N4O4S/c1-4-29-19-9-7-18(8-10-19)15-22-20(26)11-14-25-17(3)21(16(2)23-25)30(27,28)24-12-5-6-13-24/h7-10H,4-6,11-15H2,1-3H3,(H,22,26)
InChIKeyMUEBABYATJZPLM-UHFFFAOYSA-N
MW434.56 g/mol
LogP2.39
Rot. Bonds9

About 3-(3,5-dimethyl-4-pyrrolidin-1-ylsulfonylpyrazol-1-yl)-N-[(4-ethoxyphenyl)methyl]propanamide

3-(3,5-dimethyl-4-pyrrolidin-1-ylsulfonylpyrazol-1-yl)-N-[(4-ethoxyphenyl)methyl]propanamide (PubChem CID 46345095) has the molecular formula C21H30N4O4S and a molecular weight of 434.56 g/mol. Its IUPAC name is 3-(3,5-dimethyl-4-pyrrolidin-1-ylsulfonylpyrazol-1-yl)-N-[(4-ethoxyphenyl)methyl]propanamide.

Molecular Properties

Compound Name3-(3,5-dimethyl-4-pyrrolidin-1-ylsulfonylpyrazol-1-yl)-N-[(4-ethoxyphenyl)methyl]propanamide
PubChem CID46345095
Molecular FormulaC21H30N4O4S
Molecular Weight434.56 g/mol
Exact Mass434.20
IUPAC Name3-(3,5-dimethyl-4-pyrrolidin-1-ylsulfonylpyrazol-1-yl)-N-[(4-ethoxyphenyl)methyl]propanamide
SMILESCCOc1ccc(CNC(=O)CCn2nc(C)c(S(=O)(=O)N3CCCC3)c2C)cc1
InChIInChI=1S/C21H30N4O4S/c1-4-29-19-9-7-18(8-10-19)15-22-20(26)11-14-25-17(3)21(16(2)23-25)30(27,28)24-12-5-6-13-24/h7-10H,4-6,11-15H2,1-3H3,(H,22,26)
InChIKeyMUEBABYATJZPLM-UHFFFAOYSA-N
XLogP2.39
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.56
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(3,5-dimethyl-4-pyrrolidin-1-ylsulfonylpyrazol-1-yl)-N-[(4-methylphenyl)methyl]propanamide
CID 45106996
3-[3,5-dimethyl-4-(4-methylpiperidin-1-yl)sulfonylpyrazol-1-yl]-N-(4-ethoxyphenyl)propanamide
CID 46345116
N-[[4-(dimethylamino)phenyl]methyl]-3-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)propanamide
CID 46345195
3-(3,5-dimethyl-4-pyrrolidin-1-ylsulfonylpyrazol-1-yl)-N-(4-methoxyphenyl)propanamide
CID 46345015
N-(2,5-dimethoxyphenyl)-3-(3,5-dimethyl-4-pyrrolidin-1-ylsulfonylpyrazol-1-yl)propanamide
CID 46345046
(3,5-dimethyl-4-pyrrolidin-1-ylsulfonylpyrazol-1-yl)-(4-ethoxyphenyl)methanone
CID 27652480
N-(2,4-dimethoxyphenyl)-3-(3,5-dimethyl-4-piperidin-1-ylsulfonylpyrazol-1-yl)propanamide
CID 50794622
3-(3,5-dimethyl-4-piperidin-1-ylsulfonylpyrazol-1-yl)-N-(2-methoxyphenyl)propanamide
CID 50794574
N-(2,4-dimethylphenyl)-3-(3,5-dimethyl-4-piperidin-1-ylsulfonylpyrazol-1-yl)propanamide
CID 50794579
4-[[4-(azepan-1-ylsulfonyl)-3,5-dimethylpyrazol-1-yl]methyl]-N-[(4-methylphenyl)methyl]benzamide
CID 53139579
3-(4-ethylphenoxy)-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]propanamide
CID 108736229
3-[4-(dimethylsulfamoyl)-3,5-dimethylpyrazol-1-yl]-N-[(4-fluorophenyl)methyl]propanamide
CID 50794639

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethyl-4-pyrrolidin-1-ylsulfonylpyrazol-1-yl)-N-[(4-ethoxyphenyl)methyl]propanamide?
The IUPAC name of 3-(3,5-dimethyl-4-pyrrolidin-1-ylsulfonylpyrazol-1-yl)-N-[(4-ethoxyphenyl)methyl]propanamide (CID 46345095) is 3-(3,5-dimethyl-4-pyrrolidin-1-ylsulfonylpyrazol-1-yl)-N-[(4-ethoxyphenyl)methyl]propanamide.
What is the SMILES notation for 3-(3,5-dimethyl-4-pyrrolidin-1-ylsulfonylpyrazol-1-yl)-N-[(4-ethoxyphenyl)methyl]propanamide?
The canonical SMILES for 3-(3,5-dimethyl-4-pyrrolidin-1-ylsulfonylpyrazol-1-yl)-N-[(4-ethoxyphenyl)methyl]propanamide is CCOc1ccc(CNC(=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-ethoxyphenyl)methyl]propanamide?
The InChIKey is MUEBABYATJZPLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O4S/c1-4-29-19-9-7-18(8-10-19)15-22-20(26)11-14-25-17(3)21(16(2)23-25)30(27,28)24-12-5-6-13-24/h7-10H,4-6,11-15H2,1-3H3,(H,22,26).
What are the key properties of 3-(3,5-dimethyl-4-pyrrolidin-1-ylsulfonylpyrazol-1-yl)-N-[(4-ethoxyphenyl)methyl]propanamide?
3-(3,5-dimethyl-4-pyrrolidin-1-ylsulfonylpyrazol-1-yl)-N-[(4-ethoxyphenyl)methyl]propanamide has a molecular weight of 434.56 g/mol, XLogP of 2.39, 9 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-ethoxyphenyl)methyl]propanamide is sourced from PubChem (CID 46345095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).