N-(1-oxothiolan-3-yl)-3-(5-phenylpyrazol-1-yl)benzamide

C20H19N3O2S — CID 71864177

IUPACN-(1-oxothiolan-3-yl)-3-(5-phenylpyrazol-1-yl)benzamide
SMILESO=C(NC1CCS(=O)C1)c1cccc(-n2nccc2-c2ccccc2)c1
InChIInChI=1S/C20H19N3O2S/c24-20(22-17-10-12-26(25)14-17)16-7-4-8-18(13-16)23-19(9-11-21-23)15-5-2-1-3-6-15/h1-9,11,13,17H,10,12,14H2,(H,22,24)
InChIKeyZWRQOPZYNLKZEV-UHFFFAOYSA-N
MW365.46 g/mol
LogP2.79
Rot. Bonds4

About N-(1-oxothiolan-3-yl)-3-(5-phenylpyrazol-1-yl)benzamide

N-(1-oxothiolan-3-yl)-3-(5-phenylpyrazol-1-yl)benzamide (PubChem CID 71864177) has the molecular formula C20H19N3O2S and a molecular weight of 365.46 g/mol. Its IUPAC name is N-(1-oxothiolan-3-yl)-3-(5-phenylpyrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-(1-oxothiolan-3-yl)-3-(5-phenylpyrazol-1-yl)benzamide
PubChem CID71864177
Molecular FormulaC20H19N3O2S
Molecular Weight365.46 g/mol
Exact Mass365.12
IUPAC NameN-(1-oxothiolan-3-yl)-3-(5-phenylpyrazol-1-yl)benzamide
SMILESO=C(NC1CCS(=O)C1)c1cccc(-n2nccc2-c2ccccc2)c1
InChIInChI=1S/C20H19N3O2S/c24-20(22-17-10-12-26(25)14-17)16-7-4-8-18(13-16)23-19(9-11-21-23)15-5-2-1-3-6-15/h1-9,11,13,17H,10,12,14H2,(H,22,24)
InChIKeyZWRQOPZYNLKZEV-UHFFFAOYSA-N
XLogP2.79
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-[[3-(5-phenylpyrazol-1-yl)benzoyl]amino]piperidine-1-carboxylate
CID 47897961
3-(5-phenylpyrazol-1-yl)benzoic acid
CID 16773226
3-[3-(5-phenylpyrazol-1-yl)phenyl]benzoic acid
CID 118577261
N-(2-hydroxypropyl)-3-(5-phenylpyrazol-1-yl)benzamide
CID 110906604
[3-(5-phenylpyrazol-1-yl)phenyl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 56551199
3-(5-phenylpyrazol-1-yl)-N-(piperidin-3-ylmethyl)benzamide;hydrochloride
CID 119460163
N-[(1R)-1-(1,2-oxazol-3-yl)ethyl]-3-(5-phenylpyrazol-1-yl)benzamide
CID 97089380
3-[5-(4-fluorophenyl)pyrazol-1-yl]benzoic acid
CID 16776531
N-(5-methyl-1H-pyrazol-3-yl)-3-(5-phenylpyrazol-1-yl)benzamide
CID 47925828
N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]-3-(5-phenylpyrazol-1-yl)benzamide
CID 95591250
[2-(methylaminomethyl)pyrrolidin-1-yl]-[3-(5-phenylpyrazol-1-yl)phenyl]methanone;hydrochloride
CID 119648835
3-(5-phenylpyrazol-1-yl)-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 47076780

Frequently Asked Questions

What is the IUPAC name of N-(1-oxothiolan-3-yl)-3-(5-phenylpyrazol-1-yl)benzamide?
The IUPAC name of N-(1-oxothiolan-3-yl)-3-(5-phenylpyrazol-1-yl)benzamide (CID 71864177) is N-(1-oxothiolan-3-yl)-3-(5-phenylpyrazol-1-yl)benzamide.
What is the SMILES notation for N-(1-oxothiolan-3-yl)-3-(5-phenylpyrazol-1-yl)benzamide?
The canonical SMILES for N-(1-oxothiolan-3-yl)-3-(5-phenylpyrazol-1-yl)benzamide is O=C(NC1CCS(=O)C1)c1cccc(-n2nccc2-c2ccccc2)c1.
What is the InChIKey of N-(1-oxothiolan-3-yl)-3-(5-phenylpyrazol-1-yl)benzamide?
The InChIKey is ZWRQOPZYNLKZEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2S/c24-20(22-17-10-12-26(25)14-17)16-7-4-8-18(13-16)23-19(9-11-21-23)15-5-2-1-3-6-15/h1-9,11,13,17H,10,12,14H2,(H,22,24).
What are the key properties of N-(1-oxothiolan-3-yl)-3-(5-phenylpyrazol-1-yl)benzamide?
N-(1-oxothiolan-3-yl)-3-(5-phenylpyrazol-1-yl)benzamide has a molecular weight of 365.46 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-oxothiolan-3-yl)-3-(5-phenylpyrazol-1-yl)benzamide is sourced from PubChem (CID 71864177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).