3-phenyl-N'-(3-piperidin-1-ylsulfonylthiophene-2-carbonyl)-1H-pyrazole-5-carbohydrazide

C20H21N5O4S2 — CID 55495024

IUPAC3-phenyl-N'-(3-piperidin-1-ylsulfonylthiophene-2-carbonyl)-1H-pyrazole-5-carbohydrazide
SMILESO=C(NNC(=O)c1sccc1S(=O)(=O)N1CCCCC1)c1cc(-c2ccccc2)n[nH]1
InChIInChI=1S/C20H21N5O4S2/c26-19(16-13-15(21-22-16)14-7-3-1-4-8-14)23-24-20(27)18-17(9-12-30-18)31(28,29)25-10-5-2-6-11-25/h1,3-4,7-9,12-13H,2,5-6,10-11H2,(H,21,22)(H,23,26)(H,24,27)
InChIKeyJMMDTTGKXPQIKT-UHFFFAOYSA-N
MW459.55 g/mol
LogP2.39
Rot. Bonds5

About 3-phenyl-N'-(3-piperidin-1-ylsulfonylthiophene-2-carbonyl)-1H-pyrazole-5-carbohydrazide

3-phenyl-N'-(3-piperidin-1-ylsulfonylthiophene-2-carbonyl)-1H-pyrazole-5-carbohydrazide (PubChem CID 55495024) has the molecular formula C20H21N5O4S2 and a molecular weight of 459.55 g/mol. Its IUPAC name is 3-phenyl-N'-(3-piperidin-1-ylsulfonylthiophene-2-carbonyl)-1H-pyrazole-5-carbohydrazide.

Molecular Properties

Compound Name3-phenyl-N'-(3-piperidin-1-ylsulfonylthiophene-2-carbonyl)-1H-pyrazole-5-carbohydrazide
PubChem CID55495024
Molecular FormulaC20H21N5O4S2
Molecular Weight459.55 g/mol
Exact Mass459.10
IUPAC Name3-phenyl-N'-(3-piperidin-1-ylsulfonylthiophene-2-carbonyl)-1H-pyrazole-5-carbohydrazide
SMILESO=C(NNC(=O)c1sccc1S(=O)(=O)N1CCCCC1)c1cc(-c2ccccc2)n[nH]1
InChIInChI=1S/C20H21N5O4S2/c26-19(16-13-15(21-22-16)14-7-3-1-4-8-14)23-24-20(27)18-17(9-12-30-18)31(28,29)25-10-5-2-6-11-25/h1,3-4,7-9,12-13H,2,5-6,10-11H2,(H,21,22)(H,23,26)(H,24,27)
InChIKeyJMMDTTGKXPQIKT-UHFFFAOYSA-N
XLogP2.39
TPSA124.26 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.55
LogP ≤ 52.39
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

N-(2,5-difluorophenyl)-3-piperidin-1-ylsulfonylthiophene-2-carboxamide
CID 46665731
N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]-3-piperidin-1-ylsulfonylthiophene-2-carboxamide
CID 56552601
piperidin-1-yl-(3-pyrrolidin-1-ylsulfonylthiophen-2-yl)methanone
CID 51338450
3-piperidin-1-ylsulfonyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)thiophene-2-carboxamide
CID 55464525
3-phenyl-N'-(thiophene-3-carbonyl)-1H-pyrazole-5-carbohydrazide
CID 40671857
N-[4-(4-ethylpiperazin-1-yl)butyl]-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
CID 78871188
N'-(2-fluoro-5-morpholin-4-ylsulfonylbenzoyl)-3-phenyl-1H-pyrazole-5-carbohydrazide
CID 24645604
[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-(3-piperidin-1-ylsulfonylthiophen-2-yl)methanone
CID 55463965
N-[(2S)-2-(N-methylanilino)propyl]-3-piperidin-1-ylsulfonylthiophene-2-carboxamide
CID 51948333
N'-(2-chlorobenzoyl)-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)thiophene-2-carbohydrazide
CID 55489045
N-[3-(dimethylamino)propyl]-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
CID 134037246
N-(3-oxo-3-pyrrolidin-1-ylpropyl)-3-piperidin-1-ylsulfonylthiophene-2-carboxamide
CID 24633424

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-N'-(3-piperidin-1-ylsulfonylthiophene-2-carbonyl)-1H-pyrazole-5-carbohydrazide?
The IUPAC name of 3-phenyl-N'-(3-piperidin-1-ylsulfonylthiophene-2-carbonyl)-1H-pyrazole-5-carbohydrazide (CID 55495024) is 3-phenyl-N'-(3-piperidin-1-ylsulfonylthiophene-2-carbonyl)-1H-pyrazole-5-carbohydrazide.
What is the SMILES notation for 3-phenyl-N'-(3-piperidin-1-ylsulfonylthiophene-2-carbonyl)-1H-pyrazole-5-carbohydrazide?
The canonical SMILES for 3-phenyl-N'-(3-piperidin-1-ylsulfonylthiophene-2-carbonyl)-1H-pyrazole-5-carbohydrazide is O=C(NNC(=O)c1sccc1S(=O)(=O)N1CCCCC1)c1cc(-c2ccccc2)n[nH]1.
What is the InChIKey of 3-phenyl-N'-(3-piperidin-1-ylsulfonylthiophene-2-carbonyl)-1H-pyrazole-5-carbohydrazide?
The InChIKey is JMMDTTGKXPQIKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O4S2/c26-19(16-13-15(21-22-16)14-7-3-1-4-8-14)23-24-20(27)18-17(9-12-30-18)31(28,29)25-10-5-2-6-11-25/h1,3-4,7-9,12-13H,2,5-6,10-11H2,(H,21,22)(H,23,26)(H,24,27).
What are the key properties of 3-phenyl-N'-(3-piperidin-1-ylsulfonylthiophene-2-carbonyl)-1H-pyrazole-5-carbohydrazide?
3-phenyl-N'-(3-piperidin-1-ylsulfonylthiophene-2-carbonyl)-1H-pyrazole-5-carbohydrazide has a molecular weight of 459.55 g/mol, XLogP of 2.39, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-N'-(3-piperidin-1-ylsulfonylthiophene-2-carbonyl)-1H-pyrazole-5-carbohydrazide is sourced from PubChem (CID 55495024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).