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

C21H17N5O4 — CID 46429357

IUPAC4-hydroxy-N'-[2-(2-methyl-1H-indol-3-yl)-2-oxoacetyl]-1-phenylpyrazole-3-carbohydrazide
SMILESCc1[nH]c2ccccc2c1C(=O)C(=O)NNC(=O)c1nn(-c2ccccc2)cc1O
InChIInChI=1S/C21H17N5O4/c1-12-17(14-9-5-6-10-15(14)22-12)19(28)21(30)24-23-20(29)18-16(27)11-26(25-18)13-7-3-2-4-8-13/h2-11,22,27H,1H3,(H,23,29)(H,24,30)
InChIKeyDFJFYVMLWOIJOC-UHFFFAOYSA-N
MW403.40 g/mol
LogP2.01
Rot. Bonds4

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

4-hydroxy-N'-[2-(2-methyl-1H-indol-3-yl)-2-oxoacetyl]-1-phenylpyrazole-3-carbohydrazide (PubChem CID 46429357) has the molecular formula C21H17N5O4 and a molecular weight of 403.40 g/mol. Its IUPAC name is 4-hydroxy-N'-[2-(2-methyl-1H-indol-3-yl)-2-oxoacetyl]-1-phenylpyrazole-3-carbohydrazide.

Molecular Properties

Compound Name4-hydroxy-N'-[2-(2-methyl-1H-indol-3-yl)-2-oxoacetyl]-1-phenylpyrazole-3-carbohydrazide
PubChem CID46429357
Molecular FormulaC21H17N5O4
Molecular Weight403.40 g/mol
Exact Mass403.13
IUPAC Name4-hydroxy-N'-[2-(2-methyl-1H-indol-3-yl)-2-oxoacetyl]-1-phenylpyrazole-3-carbohydrazide
SMILESCc1[nH]c2ccccc2c1C(=O)C(=O)NNC(=O)c1nn(-c2ccccc2)cc1O
InChIInChI=1S/C21H17N5O4/c1-12-17(14-9-5-6-10-15(14)22-12)19(28)21(30)24-23-20(29)18-16(27)11-26(25-18)13-7-3-2-4-8-13/h2-11,22,27H,1H3,(H,23,29)(H,24,30)
InChIKeyDFJFYVMLWOIJOC-UHFFFAOYSA-N
XLogP2.01
TPSA129.11 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.40
LogP ≤ 52.01
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-hydroxy-N'-[2-(1H-indol-3-yl)acetyl]-1-phenylpyrazole-3-carbohydrazide
CID 51186249
4-hydroxy-N'-pentanoyl-1-phenylpyrazole-3-carbohydrazide
CID 17478623
N'-(cyclohex-3-ene-1-carbonyl)-4-hydroxy-1-phenylpyrazole-3-carbohydrazide
CID 51276609
3-(1,3-diphenylpyrazol-4-yl)-2-(2-methyl-1H-indole-3-carbonyl)prop-2-enenitrile
CID 4257613
1-(4-fluorophenyl)-3-[(4-hydroxy-1-phenylpyrazole-3-carbonyl)amino]thiourea
CID 8812962
4-hydroxy-N'-[2-[(4-methylphenyl)methylsulfanyl]acetyl]-1-phenylpyrazole-3-carbohydrazide
CID 46657426
N-[3-[[(4-hydroxy-1-phenylpyrazole-3-carbonyl)amino]carbamoyl]phenyl]methanesulfonamide
CID 46657379
4-hydroxy-1-phenyl-N-(propan-2-ylideneamino)pyrazole-3-carboxamide
CID 71898477
N'-[2-(4-chlorophenyl)acetyl]-4-hydroxy-1-phenylpyrazole-3-carbohydrazide
CID 17483063
N-[(4-fluoro-3-methylphenyl)methyl]-4-hydroxy-1-phenylpyrazole-3-carboxamide
CID 112806377
4-hydroxy-N'-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoyl]-1-phenylpyrazole-3-carbohydrazide
CID 46698413
1-(3-chloro-4-methylphenyl)-3-[(4-hydroxy-1-phenylpyrazole-3-carbonyl)amino]thiourea
CID 8812973

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N'-[2-(2-methyl-1H-indol-3-yl)-2-oxoacetyl]-1-phenylpyrazole-3-carbohydrazide?
The IUPAC name of 4-hydroxy-N'-[2-(2-methyl-1H-indol-3-yl)-2-oxoacetyl]-1-phenylpyrazole-3-carbohydrazide (CID 46429357) is 4-hydroxy-N'-[2-(2-methyl-1H-indol-3-yl)-2-oxoacetyl]-1-phenylpyrazole-3-carbohydrazide.
What is the SMILES notation for 4-hydroxy-N'-[2-(2-methyl-1H-indol-3-yl)-2-oxoacetyl]-1-phenylpyrazole-3-carbohydrazide?
The canonical SMILES for 4-hydroxy-N'-[2-(2-methyl-1H-indol-3-yl)-2-oxoacetyl]-1-phenylpyrazole-3-carbohydrazide is Cc1[nH]c2ccccc2c1C(=O)C(=O)NNC(=O)c1nn(-c2ccccc2)cc1O.
What is the InChIKey of 4-hydroxy-N'-[2-(2-methyl-1H-indol-3-yl)-2-oxoacetyl]-1-phenylpyrazole-3-carbohydrazide?
The InChIKey is DFJFYVMLWOIJOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N5O4/c1-12-17(14-9-5-6-10-15(14)22-12)19(28)21(30)24-23-20(29)18-16(27)11-26(25-18)13-7-3-2-4-8-13/h2-11,22,27H,1H3,(H,23,29)(H,24,30).
What are the key properties of 4-hydroxy-N'-[2-(2-methyl-1H-indol-3-yl)-2-oxoacetyl]-1-phenylpyrazole-3-carbohydrazide?
4-hydroxy-N'-[2-(2-methyl-1H-indol-3-yl)-2-oxoacetyl]-1-phenylpyrazole-3-carbohydrazide has a molecular weight of 403.40 g/mol, XLogP of 2.01, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N'-[2-(2-methyl-1H-indol-3-yl)-2-oxoacetyl]-1-phenylpyrazole-3-carbohydrazide is sourced from PubChem (CID 46429357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).