3-(4,5-dimethyl-1H-pyrazol-3-yl)-N-(1-methylsulfonyl-4-propan-2-ylpyrrolidin-3-yl)propanamide

C16H28N4O3S — CID 156603429

IUPAC3-(4,5-dimethyl-1H-pyrazol-3-yl)-N-(1-methylsulfonyl-4-propan-2-ylpyrrolidin-3-yl)propanamide
SMILESCc1[nH]nc(CCC(=O)NC2CN(S(C)(=O)=O)CC2C(C)C)c1C
InChIInChI=1S/C16H28N4O3S/c1-10(2)13-8-20(24(5,22)23)9-15(13)17-16(21)7-6-14-11(3)12(4)18-19-14/h10,13,15H,6-9H2,1-5H3,(H,17,21)(H,18,19)
InChIKeyJTODEROANJSVNO-UHFFFAOYSA-N
MW356.49 g/mol
LogP0.99
Rot. Bonds6

About 3-(4,5-dimethyl-1H-pyrazol-3-yl)-N-(1-methylsulfonyl-4-propan-2-ylpyrrolidin-3-yl)propanamide

3-(4,5-dimethyl-1H-pyrazol-3-yl)-N-(1-methylsulfonyl-4-propan-2-ylpyrrolidin-3-yl)propanamide (PubChem CID 156603429) has the molecular formula C16H28N4O3S and a molecular weight of 356.49 g/mol. Its IUPAC name is 3-(4,5-dimethyl-1H-pyrazol-3-yl)-N-(1-methylsulfonyl-4-propan-2-ylpyrrolidin-3-yl)propanamide.

Molecular Properties

Compound Name3-(4,5-dimethyl-1H-pyrazol-3-yl)-N-(1-methylsulfonyl-4-propan-2-ylpyrrolidin-3-yl)propanamide
PubChem CID156603429
Molecular FormulaC16H28N4O3S
Molecular Weight356.49 g/mol
Exact Mass356.19
IUPAC Name3-(4,5-dimethyl-1H-pyrazol-3-yl)-N-(1-methylsulfonyl-4-propan-2-ylpyrrolidin-3-yl)propanamide
SMILESCc1[nH]nc(CCC(=O)NC2CN(S(C)(=O)=O)CC2C(C)C)c1C
InChIInChI=1S/C16H28N4O3S/c1-10(2)13-8-20(24(5,22)23)9-15(13)17-16(21)7-6-14-11(3)12(4)18-19-14/h10,13,15H,6-9H2,1-5H3,(H,17,21)(H,18,19)
InChIKeyJTODEROANJSVNO-UHFFFAOYSA-N
XLogP0.99
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.49
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4,5-dimethyl-1H-pyrazol-3-yl)-N-(1-methylsulfonyl-4-propan-2-ylpyrrolidin-3-yl)propanamide?
The IUPAC name of 3-(4,5-dimethyl-1H-pyrazol-3-yl)-N-(1-methylsulfonyl-4-propan-2-ylpyrrolidin-3-yl)propanamide (CID 156603429) is 3-(4,5-dimethyl-1H-pyrazol-3-yl)-N-(1-methylsulfonyl-4-propan-2-ylpyrrolidin-3-yl)propanamide.
What is the SMILES notation for 3-(4,5-dimethyl-1H-pyrazol-3-yl)-N-(1-methylsulfonyl-4-propan-2-ylpyrrolidin-3-yl)propanamide?
The canonical SMILES for 3-(4,5-dimethyl-1H-pyrazol-3-yl)-N-(1-methylsulfonyl-4-propan-2-ylpyrrolidin-3-yl)propanamide is Cc1[nH]nc(CCC(=O)NC2CN(S(C)(=O)=O)CC2C(C)C)c1C.
What is the InChIKey of 3-(4,5-dimethyl-1H-pyrazol-3-yl)-N-(1-methylsulfonyl-4-propan-2-ylpyrrolidin-3-yl)propanamide?
The InChIKey is JTODEROANJSVNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O3S/c1-10(2)13-8-20(24(5,22)23)9-15(13)17-16(21)7-6-14-11(3)12(4)18-19-14/h10,13,15H,6-9H2,1-5H3,(H,17,21)(H,18,19).
What are the key properties of 3-(4,5-dimethyl-1H-pyrazol-3-yl)-N-(1-methylsulfonyl-4-propan-2-ylpyrrolidin-3-yl)propanamide?
3-(4,5-dimethyl-1H-pyrazol-3-yl)-N-(1-methylsulfonyl-4-propan-2-ylpyrrolidin-3-yl)propanamide has a molecular weight of 356.49 g/mol, XLogP of 0.99, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,5-dimethyl-1H-pyrazol-3-yl)-N-(1-methylsulfonyl-4-propan-2-ylpyrrolidin-3-yl)propanamide is sourced from PubChem (CID 156603429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).