2-benzylsulfanyl-N-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]acetamide

C16H19N3O2S — CID 97428055

IUPAC2-benzylsulfanyl-N-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]acetamide
SMILESO=C(CSCc1ccccc1)Nc1cnn([C@@H]2CCOC2)c1
InChIInChI=1S/C16H19N3O2S/c20-16(12-22-11-13-4-2-1-3-5-13)18-14-8-17-19(9-14)15-6-7-21-10-15/h1-5,8-9,15H,6-7,10-12H2,(H,18,20)/t15-/m1/s1
InChIKeyYYPHMMQPQUWWFL-OAHLLOKOSA-N
MW317.41 g/mol
LogP2.72
Rot. Bonds6

About 2-benzylsulfanyl-N-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]acetamide

2-benzylsulfanyl-N-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]acetamide (PubChem CID 97428055) has the molecular formula C16H19N3O2S and a molecular weight of 317.41 g/mol. Its IUPAC name is 2-benzylsulfanyl-N-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]acetamide.

Molecular Properties

Compound Name2-benzylsulfanyl-N-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]acetamide
PubChem CID97428055
Molecular FormulaC16H19N3O2S
Molecular Weight317.41 g/mol
Exact Mass317.12
IUPAC Name2-benzylsulfanyl-N-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]acetamide
SMILESO=C(CSCc1ccccc1)Nc1cnn([C@@H]2CCOC2)c1
InChIInChI=1S/C16H19N3O2S/c20-16(12-22-11-13-4-2-1-3-5-13)18-14-8-17-19(9-14)15-6-7-21-10-15/h1-5,8-9,15H,6-7,10-12H2,(H,18,20)/t15-/m1/s1
InChIKeyYYPHMMQPQUWWFL-OAHLLOKOSA-N
XLogP2.72
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-cyclopropyl-N-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]acetamide
CID 97428161
N-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]furan-2-carboxamide
CID 97428071
1-benzyl-3-[1-(oxan-4-yl)pyrazol-4-yl]urea
CID 90597826
N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]-2-pyrazol-1-ylacetamide
CID 99903598
(E)-N-[1-(oxolan-3-yl)pyrazol-4-yl]-3-phenylprop-2-enamide
CID 71810092
2-(1,2-benzoxazol-3-yl)-N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]acetamide
CID 97427988
2-chloro-N-[1-(oxolan-3-yl)pyrazol-4-yl]benzamide
CID 71810085
ethyl 4-oxo-4-[[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]amino]butanoate
CID 97428021
1-(2-fluorophenyl)-3-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]urea
CID 97428185
2-ethylsulfanyl-N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]benzamide
CID 97428080
(3R)-N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]oxolane-3-carboxamide
CID 97428174
N-[1-(oxolan-3-yl)pyrazol-4-yl]cyclobutanecarboxamide
CID 71810120

Frequently Asked Questions

What is the IUPAC name of 2-benzylsulfanyl-N-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]acetamide?
The IUPAC name of 2-benzylsulfanyl-N-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]acetamide (CID 97428055) is 2-benzylsulfanyl-N-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]acetamide.
What is the SMILES notation for 2-benzylsulfanyl-N-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]acetamide?
The canonical SMILES for 2-benzylsulfanyl-N-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]acetamide is O=C(CSCc1ccccc1)Nc1cnn([C@@H]2CCOC2)c1.
What is the InChIKey of 2-benzylsulfanyl-N-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]acetamide?
The InChIKey is YYPHMMQPQUWWFL-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H19N3O2S/c20-16(12-22-11-13-4-2-1-3-5-13)18-14-8-17-19(9-14)15-6-7-21-10-15/h1-5,8-9,15H,6-7,10-12H2,(H,18,20)/t15-/m1/s1.
What are the key properties of 2-benzylsulfanyl-N-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]acetamide?
2-benzylsulfanyl-N-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]acetamide has a molecular weight of 317.41 g/mol, XLogP of 2.72, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylsulfanyl-N-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]acetamide is sourced from PubChem (CID 97428055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).