N'-[5-ethyl-1-(4-methylphenyl)pyrazole-4-carbonyl]-1H-indole-3-carbohydrazide

C22H21N5O2 — CID 134034968

IUPACN'-[5-ethyl-1-(4-methylphenyl)pyrazole-4-carbonyl]-1H-indole-3-carbohydrazide
SMILESCCc1c(C(=O)NNC(=O)c2c[nH]c3ccccc23)cnn1-c1ccc(C)cc1
InChIInChI=1S/C22H21N5O2/c1-3-20-18(13-24-27(20)15-10-8-14(2)9-11-15)22(29)26-25-21(28)17-12-23-19-7-5-4-6-16(17)19/h4-13,23H,3H2,1-2H3,(H,25,28)(H,26,29)
InChIKeyAFXLNDWBVSYIOC-UHFFFAOYSA-N
MW387.44 g/mol
LogP3.30
Rot. Bonds4

About N'-[5-ethyl-1-(4-methylphenyl)pyrazole-4-carbonyl]-1H-indole-3-carbohydrazide

N'-[5-ethyl-1-(4-methylphenyl)pyrazole-4-carbonyl]-1H-indole-3-carbohydrazide (PubChem CID 134034968) has the molecular formula C22H21N5O2 and a molecular weight of 387.44 g/mol. Its IUPAC name is N'-[5-ethyl-1-(4-methylphenyl)pyrazole-4-carbonyl]-1H-indole-3-carbohydrazide.

Molecular Properties

Compound NameN'-[5-ethyl-1-(4-methylphenyl)pyrazole-4-carbonyl]-1H-indole-3-carbohydrazide
PubChem CID134034968
Molecular FormulaC22H21N5O2
Molecular Weight387.44 g/mol
Exact Mass387.17
IUPAC NameN'-[5-ethyl-1-(4-methylphenyl)pyrazole-4-carbonyl]-1H-indole-3-carbohydrazide
SMILESCCc1c(C(=O)NNC(=O)c2c[nH]c3ccccc23)cnn1-c1ccc(C)cc1
InChIInChI=1S/C22H21N5O2/c1-3-20-18(13-24-27(20)15-10-8-14(2)9-11-15)22(29)26-25-21(28)17-12-23-19-7-5-4-6-16(17)19/h4-13,23H,3H2,1-2H3,(H,25,28)(H,26,29)
InChIKeyAFXLNDWBVSYIOC-UHFFFAOYSA-N
XLogP3.30
TPSA91.81 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 53.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N'-[5-ethyl-1-(4-methylphenyl)pyrazole-4-carbonyl]-1H-indole-3-carbohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-[2-(1H-indol-3-yl)acetyl]-1-(4-methylphenyl)-5-(trifluoromethyl)pyrazole-4-carbohydrazide
CID 36759070
5-ethyl-N,1-bis(4-methylphenyl)pyrazole-4-carboxamide
CID 46584156
5-ethyl-N'-(2-fluorobenzoyl)-1-(4-fluorophenyl)pyrazole-4-carbohydrazide
CID 31891063
5-ethyl-1-(4-fluorophenyl)-N'-(2-hydroxybenzoyl)pyrazole-4-carbohydrazide
CID 31978367
5-ethyl-N-(3-hydroxypropyl)-1-(4-methylphenyl)pyrazole-4-carboxamide
CID 78854292
1-[[5-ethyl-1-(4-fluorophenyl)pyrazole-4-carbonyl]amino]-3-methylurea
CID 86835872
5-ethyl-1-(4-methylphenyl)-N-(1-phenylpyrazol-3-yl)pyrazole-4-carboxamide
CID 55580357
N'-(5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carbonyl)-1H-indole-3-carbohydrazide
CID 43070019
N'-acetyl-1H-indole-3-carbohydrazide
CID 4271892
5-ethyl-1-(4-methylphenyl)-N-[3-(5-methyltetrazol-1-yl)phenyl]pyrazole-4-carboxamide
CID 55676186
5-ethyl-N-(4-methylcyclohexyl)-1-(4-methylphenyl)pyrazole-4-carboxamide
CID 46582332
N-(4-ethoxyphenyl)-5-ethyl-1-(4-methylphenyl)pyrazole-4-carboxamide
CID 46584032

Frequently Asked Questions

What is the IUPAC name of N'-[5-ethyl-1-(4-methylphenyl)pyrazole-4-carbonyl]-1H-indole-3-carbohydrazide?
The IUPAC name of N'-[5-ethyl-1-(4-methylphenyl)pyrazole-4-carbonyl]-1H-indole-3-carbohydrazide (CID 134034968) is N'-[5-ethyl-1-(4-methylphenyl)pyrazole-4-carbonyl]-1H-indole-3-carbohydrazide.
What is the SMILES notation for N'-[5-ethyl-1-(4-methylphenyl)pyrazole-4-carbonyl]-1H-indole-3-carbohydrazide?
The canonical SMILES for N'-[5-ethyl-1-(4-methylphenyl)pyrazole-4-carbonyl]-1H-indole-3-carbohydrazide is CCc1c(C(=O)NNC(=O)c2c[nH]c3ccccc23)cnn1-c1ccc(C)cc1.
What is the InChIKey of N'-[5-ethyl-1-(4-methylphenyl)pyrazole-4-carbonyl]-1H-indole-3-carbohydrazide?
The InChIKey is AFXLNDWBVSYIOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O2/c1-3-20-18(13-24-27(20)15-10-8-14(2)9-11-15)22(29)26-25-21(28)17-12-23-19-7-5-4-6-16(17)19/h4-13,23H,3H2,1-2H3,(H,25,28)(H,26,29).
What are the key properties of N'-[5-ethyl-1-(4-methylphenyl)pyrazole-4-carbonyl]-1H-indole-3-carbohydrazide?
N'-[5-ethyl-1-(4-methylphenyl)pyrazole-4-carbonyl]-1H-indole-3-carbohydrazide has a molecular weight of 387.44 g/mol, XLogP of 3.30, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[5-ethyl-1-(4-methylphenyl)pyrazole-4-carbonyl]-1H-indole-3-carbohydrazide is sourced from PubChem (CID 134034968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).