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

C23H17N5O2S — CID 27692078

IUPACN'-(1-phenyl-3-thiophen-2-ylpyrazole-4-carbonyl)-1H-indole-3-carbohydrazide
SMILESO=C(NNC(=O)c1c[nH]c2ccccc12)c1cn(-c2ccccc2)nc1-c1cccs1
InChIInChI=1S/C23H17N5O2S/c29-22(17-13-24-19-10-5-4-9-16(17)19)25-26-23(30)18-14-28(15-7-2-1-3-8-15)27-21(18)20-11-6-12-31-20/h1-14,24H,(H,25,29)(H,26,30)
InChIKeyZEZZJZDVCZCHAP-UHFFFAOYSA-N
MW427.49 g/mol
LogP4.16
Rot. Bonds4

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

N'-(1-phenyl-3-thiophen-2-ylpyrazole-4-carbonyl)-1H-indole-3-carbohydrazide (PubChem CID 27692078) has the molecular formula C23H17N5O2S and a molecular weight of 427.49 g/mol. Its IUPAC name is N'-(1-phenyl-3-thiophen-2-ylpyrazole-4-carbonyl)-1H-indole-3-carbohydrazide.

Molecular Properties

Compound NameN'-(1-phenyl-3-thiophen-2-ylpyrazole-4-carbonyl)-1H-indole-3-carbohydrazide
PubChem CID27692078
Molecular FormulaC23H17N5O2S
Molecular Weight427.49 g/mol
Exact Mass427.11
IUPAC NameN'-(1-phenyl-3-thiophen-2-ylpyrazole-4-carbonyl)-1H-indole-3-carbohydrazide
SMILESO=C(NNC(=O)c1c[nH]c2ccccc12)c1cn(-c2ccccc2)nc1-c1cccs1
InChIInChI=1S/C23H17N5O2S/c29-22(17-13-24-19-10-5-4-9-16(17)19)25-26-23(30)18-14-28(15-7-2-1-3-8-15)27-21(18)20-11-6-12-31-20/h1-14,24H,(H,25,29)(H,26,30)
InChIKeyZEZZJZDVCZCHAP-UHFFFAOYSA-N
XLogP4.16
TPSA91.81 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.49
LogP ≤ 54.16
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-phenyl-N'-(1H-pyrrole-2-carbonyl)-3-thiophen-2-ylpyrazole-4-carbohydrazide
CID 78813902
1-methyl-3-[(1-phenyl-3-thiophen-2-ylpyrazole-4-carbonyl)amino]urea
CID 86835748
N-(naphthalen-1-ylmethyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide
CID 10341461
N-(4-fluorophenyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide
CID 8745127
1-phenyl-N-[4-[(1-phenyl-3-thiophen-2-ylpyrazole-4-carbonyl)amino]butyl]-3-thiophen-2-ylpyrazole-4-carboxamide
CID 4048100
1-phenyl-N-(2H-tetrazol-5-yl)-3-thiophen-2-ylpyrazole-4-carboxamide
CID 4963779
N'-(3-ethyl-4-oxoquinazolin-2-yl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carbohydrazide
CID 24598222
N-(3-acetamidophenyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide
CID 42282160
N-(3-methylbutyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide
CID 2336057
1-phenyl-N-pyridin-3-yl-3-thiophen-2-ylpyrazole-4-carboxamide
CID 2999058
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 N'-(1-phenyl-3-thiophen-2-ylpyrazole-4-carbonyl)-1H-indole-3-carbohydrazide?
The IUPAC name of N'-(1-phenyl-3-thiophen-2-ylpyrazole-4-carbonyl)-1H-indole-3-carbohydrazide (CID 27692078) is N'-(1-phenyl-3-thiophen-2-ylpyrazole-4-carbonyl)-1H-indole-3-carbohydrazide.
What is the SMILES notation for N'-(1-phenyl-3-thiophen-2-ylpyrazole-4-carbonyl)-1H-indole-3-carbohydrazide?
The canonical SMILES for N'-(1-phenyl-3-thiophen-2-ylpyrazole-4-carbonyl)-1H-indole-3-carbohydrazide is O=C(NNC(=O)c1c[nH]c2ccccc12)c1cn(-c2ccccc2)nc1-c1cccs1.
What is the InChIKey of N'-(1-phenyl-3-thiophen-2-ylpyrazole-4-carbonyl)-1H-indole-3-carbohydrazide?
The InChIKey is ZEZZJZDVCZCHAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N5O2S/c29-22(17-13-24-19-10-5-4-9-16(17)19)25-26-23(30)18-14-28(15-7-2-1-3-8-15)27-21(18)20-11-6-12-31-20/h1-14,24H,(H,25,29)(H,26,30).
What are the key properties of N'-(1-phenyl-3-thiophen-2-ylpyrazole-4-carbonyl)-1H-indole-3-carbohydrazide?
N'-(1-phenyl-3-thiophen-2-ylpyrazole-4-carbonyl)-1H-indole-3-carbohydrazide has a molecular weight of 427.49 g/mol, XLogP of 4.16, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1-phenyl-3-thiophen-2-ylpyrazole-4-carbonyl)-1H-indole-3-carbohydrazide is sourced from PubChem (CID 27692078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).