4-hydroxy-N'-[2-(1H-indol-3-yl)acetyl]-1-phenylpyrazole-3-carbohydrazide

C20H17N5O3 — CID 51186249

IUPAC4-hydroxy-N'-[2-(1H-indol-3-yl)acetyl]-1-phenylpyrazole-3-carbohydrazide
SMILESO=C(Cc1c[nH]c2ccccc12)NNC(=O)c1nn(-c2ccccc2)cc1O
InChIInChI=1S/C20H17N5O3/c26-17-12-25(14-6-2-1-3-7-14)24-19(17)20(28)23-22-18(27)10-13-11-21-16-9-5-4-8-15(13)16/h1-9,11-12,21,26H,10H2,(H,22,27)(H,23,28)
InChIKeyNIJAPVDGAUYIIU-UHFFFAOYSA-N
MW375.39 g/mol
LogP2.06
Rot. Bonds4

About 4-hydroxy-N'-[2-(1H-indol-3-yl)acetyl]-1-phenylpyrazole-3-carbohydrazide

4-hydroxy-N'-[2-(1H-indol-3-yl)acetyl]-1-phenylpyrazole-3-carbohydrazide (PubChem CID 51186249) has the molecular formula C20H17N5O3 and a molecular weight of 375.39 g/mol. Its IUPAC name is 4-hydroxy-N'-[2-(1H-indol-3-yl)acetyl]-1-phenylpyrazole-3-carbohydrazide.

Molecular Properties

Compound Name4-hydroxy-N'-[2-(1H-indol-3-yl)acetyl]-1-phenylpyrazole-3-carbohydrazide
PubChem CID51186249
Molecular FormulaC20H17N5O3
Molecular Weight375.39 g/mol
Exact Mass375.13
IUPAC Name4-hydroxy-N'-[2-(1H-indol-3-yl)acetyl]-1-phenylpyrazole-3-carbohydrazide
SMILESO=C(Cc1c[nH]c2ccccc12)NNC(=O)c1nn(-c2ccccc2)cc1O
InChIInChI=1S/C20H17N5O3/c26-17-12-25(14-6-2-1-3-7-14)24-19(17)20(28)23-22-18(27)10-13-11-21-16-9-5-4-8-15(13)16/h1-9,11-12,21,26H,10H2,(H,22,27)(H,23,28)
InChIKeyNIJAPVDGAUYIIU-UHFFFAOYSA-N
XLogP2.06
TPSA112.04 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.39
LogP ≤ 52.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(1H-indol-3-yl)-N-[2-(1-phenylpyrazol-3-yl)ethyl]acetamide
CID 51105936
4-hydroxy-N'-pentanoyl-1-phenylpyrazole-3-carbohydrazide
CID 17478623
4-hydroxy-N'-[2-(2-methyl-1H-indol-3-yl)-2-oxoacetyl]-1-phenylpyrazole-3-carbohydrazide
CID 46429357
N'-[2-(1H-indol-3-yl)acetyl]-3-methyltriazole-4-carbohydrazide
CID 100694106
N'-[2-(1H-indol-3-yl)acetyl]-2-methylbenzohydrazide
CID 39972640
2-anilino-N'-[2-(1H-indol-3-yl)acetyl]benzohydrazide
CID 31828855
1-[[2-(1H-indol-3-yl)acetyl]amino]-3-phenylurea
CID 5058781
4-hydroxy-N'-[2-[(4-methylphenyl)methylsulfanyl]acetyl]-1-phenylpyrazole-3-carbohydrazide
CID 46657426
N'-[2-(1H-indol-3-yl)acetyl]-6-oxo-1-propylpyridazine-3-carbohydrazide
CID 31828416
2-(1H-indol-3-yl)-N'-(2-phenylmethoxyacetyl)acetohydrazide
CID 102603627
1-(3,4-difluorophenyl)-N'-[2-(1H-indol-3-yl)acetyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbohydrazide
CID 46490602
N-[3-[2-[2-(1H-indol-3-yl)acetyl]hydrazinyl]-3-oxopropyl]benzamide
CID 26933063

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N'-[2-(1H-indol-3-yl)acetyl]-1-phenylpyrazole-3-carbohydrazide?
The IUPAC name of 4-hydroxy-N'-[2-(1H-indol-3-yl)acetyl]-1-phenylpyrazole-3-carbohydrazide (CID 51186249) is 4-hydroxy-N'-[2-(1H-indol-3-yl)acetyl]-1-phenylpyrazole-3-carbohydrazide.
What is the SMILES notation for 4-hydroxy-N'-[2-(1H-indol-3-yl)acetyl]-1-phenylpyrazole-3-carbohydrazide?
The canonical SMILES for 4-hydroxy-N'-[2-(1H-indol-3-yl)acetyl]-1-phenylpyrazole-3-carbohydrazide is O=C(Cc1c[nH]c2ccccc12)NNC(=O)c1nn(-c2ccccc2)cc1O.
What is the InChIKey of 4-hydroxy-N'-[2-(1H-indol-3-yl)acetyl]-1-phenylpyrazole-3-carbohydrazide?
The InChIKey is NIJAPVDGAUYIIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O3/c26-17-12-25(14-6-2-1-3-7-14)24-19(17)20(28)23-22-18(27)10-13-11-21-16-9-5-4-8-15(13)16/h1-9,11-12,21,26H,10H2,(H,22,27)(H,23,28).
What are the key properties of 4-hydroxy-N'-[2-(1H-indol-3-yl)acetyl]-1-phenylpyrazole-3-carbohydrazide?
4-hydroxy-N'-[2-(1H-indol-3-yl)acetyl]-1-phenylpyrazole-3-carbohydrazide has a molecular weight of 375.39 g/mol, XLogP of 2.06, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N'-[2-(1H-indol-3-yl)acetyl]-1-phenylpyrazole-3-carbohydrazide is sourced from PubChem (CID 51186249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).