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

C19H28N4O4S — CID 46345089

IUPAC3-(3,5-dimethyl-4-pyrrolidin-1-ylsulfonylpyrazol-1-yl)-N-[1-(furan-2-yl)propan-2-yl]propanamide
SMILESCc1nn(CCC(=O)NC(C)Cc2ccco2)c(C)c1S(=O)(=O)N1CCCC1
InChIInChI=1S/C19H28N4O4S/c1-14(13-17-7-6-12-27-17)20-18(24)8-11-23-16(3)19(15(2)21-23)28(25,26)22-9-4-5-10-22/h6-7,12,14H,4-5,8-11,13H2,1-3H3,(H,20,24)
InChIKeyLPDIDMSDOAWVJY-UHFFFAOYSA-N
MW408.52 g/mol
LogP2.01
Rot. Bonds8

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

3-(3,5-dimethyl-4-pyrrolidin-1-ylsulfonylpyrazol-1-yl)-N-[1-(furan-2-yl)propan-2-yl]propanamide (PubChem CID 46345089) 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-[1-(furan-2-yl)propan-2-yl]propanamide.

Molecular Properties

Compound Name3-(3,5-dimethyl-4-pyrrolidin-1-ylsulfonylpyrazol-1-yl)-N-[1-(furan-2-yl)propan-2-yl]propanamide
PubChem CID46345089
Molecular FormulaC19H28N4O4S
Molecular Weight408.52 g/mol
Exact Mass408.18
IUPAC Name3-(3,5-dimethyl-4-pyrrolidin-1-ylsulfonylpyrazol-1-yl)-N-[1-(furan-2-yl)propan-2-yl]propanamide
SMILESCc1nn(CCC(=O)NC(C)Cc2ccco2)c(C)c1S(=O)(=O)N1CCCC1
InChIInChI=1S/C19H28N4O4S/c1-14(13-17-7-6-12-27-17)20-18(24)8-11-23-16(3)19(15(2)21-23)28(25,26)22-9-4-5-10-22/h6-7,12,14H,4-5,8-11,13H2,1-3H3,(H,20,24)
InChIKeyLPDIDMSDOAWVJY-UHFFFAOYSA-N
XLogP2.01
TPSA97.44 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.52
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethyl-4-pyrrolidin-1-ylsulfonylpyrazol-1-yl)-N-[1-(furan-2-yl)propan-2-yl]propanamide?
The IUPAC name of 3-(3,5-dimethyl-4-pyrrolidin-1-ylsulfonylpyrazol-1-yl)-N-[1-(furan-2-yl)propan-2-yl]propanamide (CID 46345089) is 3-(3,5-dimethyl-4-pyrrolidin-1-ylsulfonylpyrazol-1-yl)-N-[1-(furan-2-yl)propan-2-yl]propanamide.
What is the SMILES notation for 3-(3,5-dimethyl-4-pyrrolidin-1-ylsulfonylpyrazol-1-yl)-N-[1-(furan-2-yl)propan-2-yl]propanamide?
The canonical SMILES for 3-(3,5-dimethyl-4-pyrrolidin-1-ylsulfonylpyrazol-1-yl)-N-[1-(furan-2-yl)propan-2-yl]propanamide is Cc1nn(CCC(=O)NC(C)Cc2ccco2)c(C)c1S(=O)(=O)N1CCCC1.
What is the InChIKey of 3-(3,5-dimethyl-4-pyrrolidin-1-ylsulfonylpyrazol-1-yl)-N-[1-(furan-2-yl)propan-2-yl]propanamide?
The InChIKey is LPDIDMSDOAWVJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O4S/c1-14(13-17-7-6-12-27-17)20-18(24)8-11-23-16(3)19(15(2)21-23)28(25,26)22-9-4-5-10-22/h6-7,12,14H,4-5,8-11,13H2,1-3H3,(H,20,24).
What are the key properties of 3-(3,5-dimethyl-4-pyrrolidin-1-ylsulfonylpyrazol-1-yl)-N-[1-(furan-2-yl)propan-2-yl]propanamide?
3-(3,5-dimethyl-4-pyrrolidin-1-ylsulfonylpyrazol-1-yl)-N-[1-(furan-2-yl)propan-2-yl]propanamide has a molecular weight of 408.52 g/mol, XLogP of 2.01, 8 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-[1-(furan-2-yl)propan-2-yl]propanamide is sourced from PubChem (CID 46345089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).