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

C21H17N5O2S — CID 9033256

IUPACN'-(1-benzyl-3-thiophen-2-ylpyrazole-4-carbonyl)pyridine-2-carbohydrazide
SMILESO=C(NNC(=O)c1cn(Cc2ccccc2)nc1-c1cccs1)c1ccccn1
InChIInChI=1S/C21H17N5O2S/c27-20(23-24-21(28)17-9-4-5-11-22-17)16-14-26(13-15-7-2-1-3-8-15)25-19(16)18-10-6-12-29-18/h1-12,14H,13H2,(H,23,27)(H,24,28)
InChIKeyHIQAITXTMFGNNJ-UHFFFAOYSA-N
MW403.47 g/mol
LogP3.13
Rot. Bonds5

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

N'-(1-benzyl-3-thiophen-2-ylpyrazole-4-carbonyl)pyridine-2-carbohydrazide (PubChem CID 9033256) has the molecular formula C21H17N5O2S and a molecular weight of 403.47 g/mol. Its IUPAC name is N'-(1-benzyl-3-thiophen-2-ylpyrazole-4-carbonyl)pyridine-2-carbohydrazide.

Molecular Properties

Compound NameN'-(1-benzyl-3-thiophen-2-ylpyrazole-4-carbonyl)pyridine-2-carbohydrazide
PubChem CID9033256
Molecular FormulaC21H17N5O2S
Molecular Weight403.47 g/mol
Exact Mass403.11
IUPAC NameN'-(1-benzyl-3-thiophen-2-ylpyrazole-4-carbonyl)pyridine-2-carbohydrazide
SMILESO=C(NNC(=O)c1cn(Cc2ccccc2)nc1-c1cccs1)c1ccccn1
InChIInChI=1S/C21H17N5O2S/c27-20(23-24-21(28)17-9-4-5-11-22-17)16-14-26(13-15-7-2-1-3-8-15)25-19(16)18-10-6-12-29-18/h1-12,14H,13H2,(H,23,27)(H,24,28)
InChIKeyHIQAITXTMFGNNJ-UHFFFAOYSA-N
XLogP3.13
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.47
LogP ≤ 53.13
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

1-benzyl-N-(2-pyridin-2-ylethyl)-3-thiophen-2-ylpyrazole-4-carboxamide
CID 29352915
1-benzyl-N'-(2-methylfuran-3-carbonyl)-3-thiophen-2-ylpyrazole-4-carbohydrazide
CID 9326455
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
[2-(2-benzoylhydrazinyl)-2-oxoethyl] 1-benzyl-3-thiophen-2-ylpyrazole-4-carboxylate
CID 42983382
1-benzyl-N-[2-(dimethylamino)-2-oxoethyl]-3-thiophen-2-ylpyrazole-4-carboxamide
CID 9480877
N-(3-anilinopropyl)-1-benzyl-3-thiophen-2-ylpyrazole-4-carboxamide
CID 56586324
1-benzyl-N-[(2S)-1-methoxypropan-2-yl]-3-thiophen-2-ylpyrazole-4-carboxamide
CID 42282130
1-benzyl-N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-3-thiophen-2-ylpyrazole-4-carboxamide
CID 46592121
1-benzyl-N-[(4-methoxyphenyl)methyl]-3-thiophen-2-ylpyrazole-4-carboxamide
CID 9208106
1-benzyl-N-(1-benzylpyrrolidin-3-yl)-3-thiophen-2-ylpyrazole-4-carboxamide
CID 17449182
(E)-3-(1-benzyl-3-thiophen-2-ylpyrazol-4-yl)-2-pyridin-2-ylprop-2-enenitrile
CID 47006186

Frequently Asked Questions

What is the IUPAC name of N'-(1-benzyl-3-thiophen-2-ylpyrazole-4-carbonyl)pyridine-2-carbohydrazide?
The IUPAC name of N'-(1-benzyl-3-thiophen-2-ylpyrazole-4-carbonyl)pyridine-2-carbohydrazide (CID 9033256) is N'-(1-benzyl-3-thiophen-2-ylpyrazole-4-carbonyl)pyridine-2-carbohydrazide.
What is the SMILES notation for N'-(1-benzyl-3-thiophen-2-ylpyrazole-4-carbonyl)pyridine-2-carbohydrazide?
The canonical SMILES for N'-(1-benzyl-3-thiophen-2-ylpyrazole-4-carbonyl)pyridine-2-carbohydrazide is O=C(NNC(=O)c1cn(Cc2ccccc2)nc1-c1cccs1)c1ccccn1.
What is the InChIKey of N'-(1-benzyl-3-thiophen-2-ylpyrazole-4-carbonyl)pyridine-2-carbohydrazide?
The InChIKey is HIQAITXTMFGNNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N5O2S/c27-20(23-24-21(28)17-9-4-5-11-22-17)16-14-26(13-15-7-2-1-3-8-15)25-19(16)18-10-6-12-29-18/h1-12,14H,13H2,(H,23,27)(H,24,28).
What are the key properties of N'-(1-benzyl-3-thiophen-2-ylpyrazole-4-carbonyl)pyridine-2-carbohydrazide?
N'-(1-benzyl-3-thiophen-2-ylpyrazole-4-carbonyl)pyridine-2-carbohydrazide has a molecular weight of 403.47 g/mol, XLogP of 3.13, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1-benzyl-3-thiophen-2-ylpyrazole-4-carbonyl)pyridine-2-carbohydrazide is sourced from PubChem (CID 9033256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).