N-[1-(oxan-4-yl)pyrazol-4-yl]-3-phenylsulfanylpropanamide

C17H21N3O2S — CID 71810229

IUPACN-[1-(oxan-4-yl)pyrazol-4-yl]-3-phenylsulfanylpropanamide
SMILESO=C(CCSc1ccccc1)Nc1cnn(C2CCOCC2)c1
InChIInChI=1S/C17H21N3O2S/c21-17(8-11-23-16-4-2-1-3-5-16)19-14-12-18-20(13-14)15-6-9-22-10-7-15/h1-5,12-13,15H,6-11H2,(H,19,21)
InChIKeyQWAZWJDQUMQNFP-UHFFFAOYSA-N
MW331.44 g/mol
LogP3.36
Rot. Bonds6

About N-[1-(oxan-4-yl)pyrazol-4-yl]-3-phenylsulfanylpropanamide

N-[1-(oxan-4-yl)pyrazol-4-yl]-3-phenylsulfanylpropanamide (PubChem CID 71810229) has the molecular formula C17H21N3O2S and a molecular weight of 331.44 g/mol. Its IUPAC name is N-[1-(oxan-4-yl)pyrazol-4-yl]-3-phenylsulfanylpropanamide.

Molecular Properties

Compound NameN-[1-(oxan-4-yl)pyrazol-4-yl]-3-phenylsulfanylpropanamide
PubChem CID71810229
Molecular FormulaC17H21N3O2S
Molecular Weight331.44 g/mol
Exact Mass331.14
IUPAC NameN-[1-(oxan-4-yl)pyrazol-4-yl]-3-phenylsulfanylpropanamide
SMILESO=C(CCSc1ccccc1)Nc1cnn(C2CCOCC2)c1
InChIInChI=1S/C17H21N3O2S/c21-17(8-11-23-16-4-2-1-3-5-16)19-14-12-18-20(13-14)15-6-9-22-10-7-15/h1-5,12-13,15H,6-11H2,(H,19,21)
InChIKeyQWAZWJDQUMQNFP-UHFFFAOYSA-N
XLogP3.36
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-{1-[2-(2-isoxazolidinyl)-2-oxoethyl]-1H-pyrazol-4-yl}-2-(phenylthio)acetamide
CID 42441669
N-(1-ethylpyrazol-4-yl)-4-(2-phenylsulfanylethyl)piperazine-1-carboxamide
CID 47071630
N-(1-(tetrahydro-2H-pyran-4-yl)-1H-pyrazol-4-yl)-2-(thiophen-2-yl)acetamide
CID 71810199
2-((4-fluorophenyl)thio)-N-(1-((tetrahydro-2H-pyran-4-yl)methyl)-1H-pyrazol-4-yl)acetamide
CID 90622209
N-{1-[(S)-perhydro-3-furyl]-4-pyrazolyl}(p-fluorophenylthio)acetamide
CID 97428102
2-(benzylthio)-N-(1-(tetrahydro-2H-pyran-4-yl)-1H-pyrazol-4-yl)acetamide
CID 71810195
2-(4-(isopropylsulfonyl)phenyl)-N-(1-(tetrahydro-2H-pyran-4-yl)-1H-pyrazol-4-yl)acetamide
CID 71810230
2-(4-(isopropylthio)phenyl)-N-(1-((tetrahydro-2H-pyran-4-yl)methyl)-1H-pyrazol-4-yl)acetamide
CID 90622225
N-{1-[(S)-perhydro-3-furyl]-4-pyrazolyl}3-(phenylsulfonyl)propionamide
CID 97428112
2,2-difluoro-N-[1-(phenylsulfanylmethyl)pyrazol-4-yl]acetamide
CID 3676519
N-[1-(2-{4-[(4-fluorophenyl)thio]-1-piperidinyl}-2-oxoethyl)-1H-pyrazol-4-yl]-2-(phenylthio)acetamide
CID 26354395
N-cyclopentyl-2-[4-[[2-(3,4-difluorophenyl)sulfanylacetyl]amino]pyrazol-1-yl]acetamide
CID 49055255

Frequently Asked Questions

What is the IUPAC name of N-[1-(oxan-4-yl)pyrazol-4-yl]-3-phenylsulfanylpropanamide?
The IUPAC name of N-[1-(oxan-4-yl)pyrazol-4-yl]-3-phenylsulfanylpropanamide (CID 71810229) is N-[1-(oxan-4-yl)pyrazol-4-yl]-3-phenylsulfanylpropanamide.
What is the SMILES notation for N-[1-(oxan-4-yl)pyrazol-4-yl]-3-phenylsulfanylpropanamide?
The canonical SMILES for N-[1-(oxan-4-yl)pyrazol-4-yl]-3-phenylsulfanylpropanamide is O=C(CCSc1ccccc1)Nc1cnn(C2CCOCC2)c1.
What is the InChIKey of N-[1-(oxan-4-yl)pyrazol-4-yl]-3-phenylsulfanylpropanamide?
The InChIKey is QWAZWJDQUMQNFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2S/c21-17(8-11-23-16-4-2-1-3-5-16)19-14-12-18-20(13-14)15-6-9-22-10-7-15/h1-5,12-13,15H,6-11H2,(H,19,21).
What are the key properties of N-[1-(oxan-4-yl)pyrazol-4-yl]-3-phenylsulfanylpropanamide?
N-[1-(oxan-4-yl)pyrazol-4-yl]-3-phenylsulfanylpropanamide has a molecular weight of 331.44 g/mol, XLogP of 3.36, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(oxan-4-yl)pyrazol-4-yl]-3-phenylsulfanylpropanamide is sourced from PubChem (CID 71810229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).