1-benzyl-N'-(2-methylfuran-3-carbonyl)-3-thiophen-2-ylpyrazole-4-carbohydrazide

C21H18N4O3S — CID 9326455

IUPAC1-benzyl-N'-(2-methylfuran-3-carbonyl)-3-thiophen-2-ylpyrazole-4-carbohydrazide
SMILESCc1occc1C(=O)NNC(=O)c1cn(Cc2ccccc2)nc1-c1cccs1
InChIInChI=1S/C21H18N4O3S/c1-14-16(9-10-28-14)20(26)22-23-21(27)17-13-25(12-15-6-3-2-4-7-15)24-19(17)18-8-5-11-29-18/h2-11,13H,12H2,1H3,(H,22,26)(H,23,27)
InChIKeyOXQRCSMJWUWQRL-UHFFFAOYSA-N
MW406.47 g/mol
LogP3.64
Rot. Bonds5

About 1-benzyl-N'-(2-methylfuran-3-carbonyl)-3-thiophen-2-ylpyrazole-4-carbohydrazide

1-benzyl-N'-(2-methylfuran-3-carbonyl)-3-thiophen-2-ylpyrazole-4-carbohydrazide (PubChem CID 9326455) has the molecular formula C21H18N4O3S and a molecular weight of 406.47 g/mol. Its IUPAC name is 1-benzyl-N'-(2-methylfuran-3-carbonyl)-3-thiophen-2-ylpyrazole-4-carbohydrazide.

Molecular Properties

Compound Name1-benzyl-N'-(2-methylfuran-3-carbonyl)-3-thiophen-2-ylpyrazole-4-carbohydrazide
PubChem CID9326455
Molecular FormulaC21H18N4O3S
Molecular Weight406.47 g/mol
Exact Mass406.11
IUPAC Name1-benzyl-N'-(2-methylfuran-3-carbonyl)-3-thiophen-2-ylpyrazole-4-carbohydrazide
SMILESCc1occc1C(=O)NNC(=O)c1cn(Cc2ccccc2)nc1-c1cccs1
InChIInChI=1S/C21H18N4O3S/c1-14-16(9-10-28-14)20(26)22-23-21(27)17-13-25(12-15-6-3-2-4-7-15)24-19(17)18-8-5-11-29-18/h2-11,13H,12H2,1H3,(H,22,26)(H,23,27)
InChIKeyOXQRCSMJWUWQRL-UHFFFAOYSA-N
XLogP3.64
TPSA89.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.47
LogP ≤ 53.64
H-Bond Donors ≤ 52
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'-(1-benzyl-3-thiophen-2-ylpyrazole-4-carbonyl)pyridine-2-carbohydrazide
CID 9033256
1-benzyl-N-propan-2-yl-3-thiophen-2-ylpyrazole-4-carboxamide
CID 42282124
1-benzyl-3-thiophen-2-yl-N-(thiophen-2-ylmethyl)pyrazole-4-carboxamide
CID 9360117
1-benzyl-N-[2-(dimethylamino)-2-oxoethyl]-3-thiophen-2-ylpyrazole-4-carboxamide
CID 9480877
[2-(2-benzoylhydrazinyl)-2-oxoethyl] 1-benzyl-3-thiophen-2-ylpyrazole-4-carboxylate
CID 42983382
1-benzyl-N-[(2S)-1-methoxypropan-2-yl]-3-thiophen-2-ylpyrazole-4-carboxamide
CID 42282130
1-benzyl-N-[(4-methoxyphenyl)methyl]-3-thiophen-2-ylpyrazole-4-carboxamide
CID 9208106
N-(3-acetamido-4-methylphenyl)-1-benzyl-3-thiophen-2-ylpyrazole-4-carboxamide
CID 55784789
N-(3-anilinopropyl)-1-benzyl-3-thiophen-2-ylpyrazole-4-carboxamide
CID 56586324
1-benzyl-N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-3-thiophen-2-ylpyrazole-4-carboxamide
CID 46592121
1-benzyl-N-(2-morpholin-4-ylethyl)-3-thiophen-2-ylpyrazole-4-carboxamide
CID 17474823
1-benzyl-N-[[3-(furan-2-ylmethylcarbamoyl)phenyl]methyl]-3-thiophen-2-ylpyrazole-4-carboxamide
CID 55876505

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N'-(2-methylfuran-3-carbonyl)-3-thiophen-2-ylpyrazole-4-carbohydrazide?
The IUPAC name of 1-benzyl-N'-(2-methylfuran-3-carbonyl)-3-thiophen-2-ylpyrazole-4-carbohydrazide (CID 9326455) is 1-benzyl-N'-(2-methylfuran-3-carbonyl)-3-thiophen-2-ylpyrazole-4-carbohydrazide.
What is the SMILES notation for 1-benzyl-N'-(2-methylfuran-3-carbonyl)-3-thiophen-2-ylpyrazole-4-carbohydrazide?
The canonical SMILES for 1-benzyl-N'-(2-methylfuran-3-carbonyl)-3-thiophen-2-ylpyrazole-4-carbohydrazide is Cc1occc1C(=O)NNC(=O)c1cn(Cc2ccccc2)nc1-c1cccs1.
What is the InChIKey of 1-benzyl-N'-(2-methylfuran-3-carbonyl)-3-thiophen-2-ylpyrazole-4-carbohydrazide?
The InChIKey is OXQRCSMJWUWQRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O3S/c1-14-16(9-10-28-14)20(26)22-23-21(27)17-13-25(12-15-6-3-2-4-7-15)24-19(17)18-8-5-11-29-18/h2-11,13H,12H2,1H3,(H,22,26)(H,23,27).
What are the key properties of 1-benzyl-N'-(2-methylfuran-3-carbonyl)-3-thiophen-2-ylpyrazole-4-carbohydrazide?
1-benzyl-N'-(2-methylfuran-3-carbonyl)-3-thiophen-2-ylpyrazole-4-carbohydrazide has a molecular weight of 406.47 g/mol, XLogP of 3.64, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N'-(2-methylfuran-3-carbonyl)-3-thiophen-2-ylpyrazole-4-carbohydrazide is sourced from PubChem (CID 9326455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).