N'-(2-fluoro-5-morpholin-4-ylsulfonylbenzoyl)-3-phenyl-1H-pyrazole-5-carbohydrazide

C21H20FN5O5S — CID 24645604

IUPACN'-(2-fluoro-5-morpholin-4-ylsulfonylbenzoyl)-3-phenyl-1H-pyrazole-5-carbohydrazide
SMILESO=C(NNC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1F)c1cc(-c2ccccc2)n[nH]1
InChIInChI=1S/C21H20FN5O5S/c22-17-7-6-15(33(30,31)27-8-10-32-11-9-27)12-16(17)20(28)25-26-21(29)19-13-18(23-24-19)14-4-2-1-3-5-14/h1-7,12-13H,8-11H2,(H,23,24)(H,25,28)(H,26,29)
InChIKeyHVEAWSNKTNPAHL-UHFFFAOYSA-N
MW473.49 g/mol
LogP1.31
Rot. Bonds5

About N'-(2-fluoro-5-morpholin-4-ylsulfonylbenzoyl)-3-phenyl-1H-pyrazole-5-carbohydrazide

N'-(2-fluoro-5-morpholin-4-ylsulfonylbenzoyl)-3-phenyl-1H-pyrazole-5-carbohydrazide (PubChem CID 24645604) has the molecular formula C21H20FN5O5S and a molecular weight of 473.49 g/mol. Its IUPAC name is N'-(2-fluoro-5-morpholin-4-ylsulfonylbenzoyl)-3-phenyl-1H-pyrazole-5-carbohydrazide.

Molecular Properties

Compound NameN'-(2-fluoro-5-morpholin-4-ylsulfonylbenzoyl)-3-phenyl-1H-pyrazole-5-carbohydrazide
PubChem CID24645604
Molecular FormulaC21H20FN5O5S
Molecular Weight473.49 g/mol
Exact Mass473.12
IUPAC NameN'-(2-fluoro-5-morpholin-4-ylsulfonylbenzoyl)-3-phenyl-1H-pyrazole-5-carbohydrazide
SMILESO=C(NNC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1F)c1cc(-c2ccccc2)n[nH]1
InChIInChI=1S/C21H20FN5O5S/c22-17-7-6-15(33(30,31)27-8-10-32-11-9-27)12-16(17)20(28)25-26-21(29)19-13-18(23-24-19)14-4-2-1-3-5-14/h1-7,12-13H,8-11H2,(H,23,24)(H,25,28)(H,26,29)
InChIKeyHVEAWSNKTNPAHL-UHFFFAOYSA-N
XLogP1.31
TPSA133.49 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.49
LogP ≤ 51.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-fluoro-N-methyl-5-morpholin-4-ylsulfonyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]benzamide
CID 55970027
N'-(3-chlorobenzoyl)-2-fluoro-5-morpholin-4-ylsulfonylbenzohydrazide
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N'-(4-bromobenzoyl)-2-fluoro-5-morpholin-4-ylsulfonylbenzohydrazide
CID 24640878
2-fluoro-5-morpholin-4-ylsulfonyl-N-[(1S)-1-phenylethyl]benzamide
CID 8712990
2-fluoro-5-morpholin-4-ylsulfonyl-N-(1-phenylcyclohexyl)benzamide
CID 86948596
2-fluoro-5-morpholin-4-ylsulfonyl-N'-(3-nitrobenzoyl)benzohydrazide
CID 24640858
N-[2-(dimethylamino)phenyl]-2-fluoro-5-morpholin-4-ylsulfonylbenzamide
CID 39130389
2-fluoro-5-morpholin-4-ylsulfonyl-N-quinolin-3-ylbenzamide
CID 31030862
benzyl 2-[(2-fluoro-5-morpholin-4-ylsulfonylbenzoyl)amino]acetate
CID 24643713
N-(3-chloro-2-fluorophenyl)-2-fluoro-5-morpholin-4-ylsulfonylbenzamide
CID 26309220
2-fluoro-5-(1,4-oxazepan-4-ylsulfonyl)benzoic acid
CID 62988361
2-fluoro-5-morpholin-4-ylsulfonyl-N-(pyridin-2-ylmethyl)benzamide
CID 5143733

Frequently Asked Questions

What is the IUPAC name of N'-(2-fluoro-5-morpholin-4-ylsulfonylbenzoyl)-3-phenyl-1H-pyrazole-5-carbohydrazide?
The IUPAC name of N'-(2-fluoro-5-morpholin-4-ylsulfonylbenzoyl)-3-phenyl-1H-pyrazole-5-carbohydrazide (CID 24645604) is N'-(2-fluoro-5-morpholin-4-ylsulfonylbenzoyl)-3-phenyl-1H-pyrazole-5-carbohydrazide.
What is the SMILES notation for N'-(2-fluoro-5-morpholin-4-ylsulfonylbenzoyl)-3-phenyl-1H-pyrazole-5-carbohydrazide?
The canonical SMILES for N'-(2-fluoro-5-morpholin-4-ylsulfonylbenzoyl)-3-phenyl-1H-pyrazole-5-carbohydrazide is O=C(NNC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1F)c1cc(-c2ccccc2)n[nH]1.
What is the InChIKey of N'-(2-fluoro-5-morpholin-4-ylsulfonylbenzoyl)-3-phenyl-1H-pyrazole-5-carbohydrazide?
The InChIKey is HVEAWSNKTNPAHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN5O5S/c22-17-7-6-15(33(30,31)27-8-10-32-11-9-27)12-16(17)20(28)25-26-21(29)19-13-18(23-24-19)14-4-2-1-3-5-14/h1-7,12-13H,8-11H2,(H,23,24)(H,25,28)(H,26,29).
What are the key properties of N'-(2-fluoro-5-morpholin-4-ylsulfonylbenzoyl)-3-phenyl-1H-pyrazole-5-carbohydrazide?
N'-(2-fluoro-5-morpholin-4-ylsulfonylbenzoyl)-3-phenyl-1H-pyrazole-5-carbohydrazide has a molecular weight of 473.49 g/mol, XLogP of 1.31, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-fluoro-5-morpholin-4-ylsulfonylbenzoyl)-3-phenyl-1H-pyrazole-5-carbohydrazide is sourced from PubChem (CID 24645604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).