3-(3,5-dimethyl-4-pyrrolidin-1-ylsulfonylpyrazol-1-yl)-N-[3-(furan-2-yl)propyl]propanamide

C19H28N4O4S — CID 46345101

IUPAC3-(3,5-dimethyl-4-pyrrolidin-1-ylsulfonylpyrazol-1-yl)-N-[3-(furan-2-yl)propyl]propanamide
SMILESCc1nn(CCC(=O)NCCCc2ccco2)c(C)c1S(=O)(=O)N1CCCC1
InChIInChI=1S/C19H28N4O4S/c1-15-19(28(25,26)22-11-3-4-12-22)16(2)23(21-15)13-9-18(24)20-10-5-7-17-8-6-14-27-17/h6,8,14H,3-5,7,9-13H2,1-2H3,(H,20,24)
InChIKeyCSRLLHCLBSGJTQ-UHFFFAOYSA-N
MW408.52 g/mol
LogP2.02
Rot. Bonds9

About 3-(3,5-dimethyl-4-pyrrolidin-1-ylsulfonylpyrazol-1-yl)-N-[3-(furan-2-yl)propyl]propanamide

3-(3,5-dimethyl-4-pyrrolidin-1-ylsulfonylpyrazol-1-yl)-N-[3-(furan-2-yl)propyl]propanamide (PubChem CID 46345101) has the molecular formula C19H28N4O4S and a molecular weight of 408.52 g/mol. Its IUPAC name is 3-(3,5-dimethyl-4-pyrrolidin-1-ylsulfonylpyrazol-1-yl)-N-[3-(furan-2-yl)propyl]propanamide.

Molecular Properties

Compound Name3-(3,5-dimethyl-4-pyrrolidin-1-ylsulfonylpyrazol-1-yl)-N-[3-(furan-2-yl)propyl]propanamide
PubChem CID46345101
Molecular FormulaC19H28N4O4S
Molecular Weight408.52 g/mol
Exact Mass408.18
IUPAC Name3-(3,5-dimethyl-4-pyrrolidin-1-ylsulfonylpyrazol-1-yl)-N-[3-(furan-2-yl)propyl]propanamide
SMILESCc1nn(CCC(=O)NCCCc2ccco2)c(C)c1S(=O)(=O)N1CCCC1
InChIInChI=1S/C19H28N4O4S/c1-15-19(28(25,26)22-11-3-4-12-22)16(2)23(21-15)13-9-18(24)20-10-5-7-17-8-6-14-27-17/h6,8,14H,3-5,7,9-13H2,1-2H3,(H,20,24)
InChIKeyCSRLLHCLBSGJTQ-UHFFFAOYSA-N
XLogP2.02
TPSA97.44 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.52
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethyl-4-pyrrolidin-1-ylsulfonylpyrazol-1-yl)-N-[3-(furan-2-yl)propyl]propanamide?
The IUPAC name of 3-(3,5-dimethyl-4-pyrrolidin-1-ylsulfonylpyrazol-1-yl)-N-[3-(furan-2-yl)propyl]propanamide (CID 46345101) is 3-(3,5-dimethyl-4-pyrrolidin-1-ylsulfonylpyrazol-1-yl)-N-[3-(furan-2-yl)propyl]propanamide.
What is the SMILES notation for 3-(3,5-dimethyl-4-pyrrolidin-1-ylsulfonylpyrazol-1-yl)-N-[3-(furan-2-yl)propyl]propanamide?
The canonical SMILES for 3-(3,5-dimethyl-4-pyrrolidin-1-ylsulfonylpyrazol-1-yl)-N-[3-(furan-2-yl)propyl]propanamide is Cc1nn(CCC(=O)NCCCc2ccco2)c(C)c1S(=O)(=O)N1CCCC1.
What is the InChIKey of 3-(3,5-dimethyl-4-pyrrolidin-1-ylsulfonylpyrazol-1-yl)-N-[3-(furan-2-yl)propyl]propanamide?
The InChIKey is CSRLLHCLBSGJTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O4S/c1-15-19(28(25,26)22-11-3-4-12-22)16(2)23(21-15)13-9-18(24)20-10-5-7-17-8-6-14-27-17/h6,8,14H,3-5,7,9-13H2,1-2H3,(H,20,24).
What are the key properties of 3-(3,5-dimethyl-4-pyrrolidin-1-ylsulfonylpyrazol-1-yl)-N-[3-(furan-2-yl)propyl]propanamide?
3-(3,5-dimethyl-4-pyrrolidin-1-ylsulfonylpyrazol-1-yl)-N-[3-(furan-2-yl)propyl]propanamide has a molecular weight of 408.52 g/mol, XLogP of 2.02, 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-[3-(furan-2-yl)propyl]propanamide is sourced from PubChem (CID 46345101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).