1-phenyl-N'-(1H-pyrrole-2-carbonyl)-3-thiophen-2-ylpyrazole-4-carbohydrazide

C19H15N5O2S — CID 78813902

IUPAC1-phenyl-N'-(1H-pyrrole-2-carbonyl)-3-thiophen-2-ylpyrazole-4-carbohydrazide
SMILESO=C(NNC(=O)c1cn(-c2ccccc2)nc1-c1cccs1)c1ccc[nH]1
InChIInChI=1S/C19H15N5O2S/c25-18(21-22-19(26)15-8-4-10-20-15)14-12-24(13-6-2-1-3-7-13)23-17(14)16-9-5-11-27-16/h1-12,20H,(H,21,25)(H,22,26)
InChIKeyPQNWAZDQRUOPJZ-UHFFFAOYSA-N
MW377.43 g/mol
LogP3.00
Rot. Bonds4

About 1-phenyl-N'-(1H-pyrrole-2-carbonyl)-3-thiophen-2-ylpyrazole-4-carbohydrazide

1-phenyl-N'-(1H-pyrrole-2-carbonyl)-3-thiophen-2-ylpyrazole-4-carbohydrazide (PubChem CID 78813902) has the molecular formula C19H15N5O2S and a molecular weight of 377.43 g/mol. Its IUPAC name is 1-phenyl-N'-(1H-pyrrole-2-carbonyl)-3-thiophen-2-ylpyrazole-4-carbohydrazide.

Molecular Properties

Compound Name1-phenyl-N'-(1H-pyrrole-2-carbonyl)-3-thiophen-2-ylpyrazole-4-carbohydrazide
PubChem CID78813902
Molecular FormulaC19H15N5O2S
Molecular Weight377.43 g/mol
Exact Mass377.09
IUPAC Name1-phenyl-N'-(1H-pyrrole-2-carbonyl)-3-thiophen-2-ylpyrazole-4-carbohydrazide
SMILESO=C(NNC(=O)c1cn(-c2ccccc2)nc1-c1cccs1)c1ccc[nH]1
InChIInChI=1S/C19H15N5O2S/c25-18(21-22-19(26)15-8-4-10-20-15)14-12-24(13-6-2-1-3-7-13)23-17(14)16-9-5-11-27-16/h1-12,20H,(H,21,25)(H,22,26)
InChIKeyPQNWAZDQRUOPJZ-UHFFFAOYSA-N
XLogP3.00
TPSA91.81 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.43
LogP ≤ 53.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-3-[(1-phenyl-3-thiophen-2-ylpyrazole-4-carbonyl)amino]urea
CID 86835748
N'-(1-phenyl-3-thiophen-2-ylpyrazole-4-carbonyl)-1H-indole-3-carbohydrazide
CID 27692078
1-phenyl-N-[4-[(1-phenyl-3-thiophen-2-ylpyrazole-4-carbonyl)amino]butyl]-3-thiophen-2-ylpyrazole-4-carboxamide
CID 4048100
3-(5-methylfuran-2-yl)-1-phenyl-N'-(1H-pyrrole-2-carbonyl)pyrazole-4-carbohydrazide
CID 78812981
N-(4-fluorophenyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide
CID 8745127
N-(3-methylbutyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide
CID 2336057
N-[3-(dimethylamino)propyl]-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide
CID 2333924
1-phenyl-N-(2H-tetrazol-5-yl)-3-thiophen-2-ylpyrazole-4-carboxamide
CID 4963779
1-phenyl-N-pyridin-3-yl-3-thiophen-2-ylpyrazole-4-carboxamide
CID 2999058
N-(3-acetamidophenyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide
CID 42282160
azetidin-1-yl-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methanone
CID 7677674
N-(2,4-dioxoimidazolidin-1-yl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide
CID 78809218

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N'-(1H-pyrrole-2-carbonyl)-3-thiophen-2-ylpyrazole-4-carbohydrazide?
The IUPAC name of 1-phenyl-N'-(1H-pyrrole-2-carbonyl)-3-thiophen-2-ylpyrazole-4-carbohydrazide (CID 78813902) is 1-phenyl-N'-(1H-pyrrole-2-carbonyl)-3-thiophen-2-ylpyrazole-4-carbohydrazide.
What is the SMILES notation for 1-phenyl-N'-(1H-pyrrole-2-carbonyl)-3-thiophen-2-ylpyrazole-4-carbohydrazide?
The canonical SMILES for 1-phenyl-N'-(1H-pyrrole-2-carbonyl)-3-thiophen-2-ylpyrazole-4-carbohydrazide is O=C(NNC(=O)c1cn(-c2ccccc2)nc1-c1cccs1)c1ccc[nH]1.
What is the InChIKey of 1-phenyl-N'-(1H-pyrrole-2-carbonyl)-3-thiophen-2-ylpyrazole-4-carbohydrazide?
The InChIKey is PQNWAZDQRUOPJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N5O2S/c25-18(21-22-19(26)15-8-4-10-20-15)14-12-24(13-6-2-1-3-7-13)23-17(14)16-9-5-11-27-16/h1-12,20H,(H,21,25)(H,22,26).
What are the key properties of 1-phenyl-N'-(1H-pyrrole-2-carbonyl)-3-thiophen-2-ylpyrazole-4-carbohydrazide?
1-phenyl-N'-(1H-pyrrole-2-carbonyl)-3-thiophen-2-ylpyrazole-4-carbohydrazide has a molecular weight of 377.43 g/mol, XLogP of 3.00, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N'-(1H-pyrrole-2-carbonyl)-3-thiophen-2-ylpyrazole-4-carbohydrazide is sourced from PubChem (CID 78813902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).