2-[[5-(furan-2-yl)-4H-pyrazol-3-yl]sulfanyl]-2-methyl-N-phenylpropanamide

C17H17N3O2S — CID 161264761

IUPAC2-[[5-(furan-2-yl)-4H-pyrazol-3-yl]sulfanyl]-2-methyl-N-phenylpropanamide
SMILESCC(C)(SC1=NN=C(c2ccco2)C1)C(=O)Nc1ccccc1
InChIInChI=1S/C17H17N3O2S/c1-17(2,16(21)18-12-7-4-3-5-8-12)23-15-11-13(19-20-15)14-9-6-10-22-14/h3-10H,11H2,1-2H3,(H,18,21)
InChIKeyHIRVXMPDOQGJIP-UHFFFAOYSA-N
MW327.41 g/mol
LogP3.94
Rot. Bonds4

About 2-[[5-(furan-2-yl)-4H-pyrazol-3-yl]sulfanyl]-2-methyl-N-phenylpropanamide

2-[[5-(furan-2-yl)-4H-pyrazol-3-yl]sulfanyl]-2-methyl-N-phenylpropanamide (PubChem CID 161264761) has the molecular formula C17H17N3O2S and a molecular weight of 327.41 g/mol. Its IUPAC name is 2-[[5-(furan-2-yl)-4H-pyrazol-3-yl]sulfanyl]-2-methyl-N-phenylpropanamide.

Molecular Properties

Compound Name2-[[5-(furan-2-yl)-4H-pyrazol-3-yl]sulfanyl]-2-methyl-N-phenylpropanamide
PubChem CID161264761
Molecular FormulaC17H17N3O2S
Molecular Weight327.41 g/mol
Exact Mass327.10
IUPAC Name2-[[5-(furan-2-yl)-4H-pyrazol-3-yl]sulfanyl]-2-methyl-N-phenylpropanamide
SMILESCC(C)(SC1=NN=C(c2ccco2)C1)C(=O)Nc1ccccc1
InChIInChI=1S/C17H17N3O2S/c1-17(2,16(21)18-12-7-4-3-5-8-12)23-15-11-13(19-20-15)14-9-6-10-22-14/h3-10H,11H2,1-2H3,(H,18,21)
InChIKeyHIRVXMPDOQGJIP-UHFFFAOYSA-N
XLogP3.94
TPSA66.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-(furan-2-yl)-4H-pyrazol-3-yl]sulfanyl]-2-methyl-N-phenylpropanamide?
The IUPAC name of 2-[[5-(furan-2-yl)-4H-pyrazol-3-yl]sulfanyl]-2-methyl-N-phenylpropanamide (CID 161264761) is 2-[[5-(furan-2-yl)-4H-pyrazol-3-yl]sulfanyl]-2-methyl-N-phenylpropanamide.
What is the SMILES notation for 2-[[5-(furan-2-yl)-4H-pyrazol-3-yl]sulfanyl]-2-methyl-N-phenylpropanamide?
The canonical SMILES for 2-[[5-(furan-2-yl)-4H-pyrazol-3-yl]sulfanyl]-2-methyl-N-phenylpropanamide is CC(C)(SC1=NN=C(c2ccco2)C1)C(=O)Nc1ccccc1.
What is the InChIKey of 2-[[5-(furan-2-yl)-4H-pyrazol-3-yl]sulfanyl]-2-methyl-N-phenylpropanamide?
The InChIKey is HIRVXMPDOQGJIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2S/c1-17(2,16(21)18-12-7-4-3-5-8-12)23-15-11-13(19-20-15)14-9-6-10-22-14/h3-10H,11H2,1-2H3,(H,18,21).
What are the key properties of 2-[[5-(furan-2-yl)-4H-pyrazol-3-yl]sulfanyl]-2-methyl-N-phenylpropanamide?
2-[[5-(furan-2-yl)-4H-pyrazol-3-yl]sulfanyl]-2-methyl-N-phenylpropanamide has a molecular weight of 327.41 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(furan-2-yl)-4H-pyrazol-3-yl]sulfanyl]-2-methyl-N-phenylpropanamide is sourced from PubChem (CID 161264761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).