1-methyl-N'-[3-(1-phenylpyrazol-4-yl)propanoyl]indole-3-carbohydrazide

C22H21N5O2 — CID 26815658

IUPAC1-methyl-N'-[3-(1-phenylpyrazol-4-yl)propanoyl]indole-3-carbohydrazide
SMILESCn1cc(C(=O)NNC(=O)CCc2cnn(-c3ccccc3)c2)c2ccccc21
InChIInChI=1S/C22H21N5O2/c1-26-15-19(18-9-5-6-10-20(18)26)22(29)25-24-21(28)12-11-16-13-23-27(14-16)17-7-3-2-4-8-17/h2-10,13-15H,11-12H2,1H3,(H,24,28)(H,25,29)
InChIKeySPRILRYXTSFEQC-UHFFFAOYSA-N
MW387.44 g/mol
LogP2.76
Rot. Bonds5

About 1-methyl-N'-[3-(1-phenylpyrazol-4-yl)propanoyl]indole-3-carbohydrazide

1-methyl-N'-[3-(1-phenylpyrazol-4-yl)propanoyl]indole-3-carbohydrazide (PubChem CID 26815658) has the molecular formula C22H21N5O2 and a molecular weight of 387.44 g/mol. Its IUPAC name is 1-methyl-N'-[3-(1-phenylpyrazol-4-yl)propanoyl]indole-3-carbohydrazide.

Molecular Properties

Compound Name1-methyl-N'-[3-(1-phenylpyrazol-4-yl)propanoyl]indole-3-carbohydrazide
PubChem CID26815658
Molecular FormulaC22H21N5O2
Molecular Weight387.44 g/mol
Exact Mass387.17
IUPAC Name1-methyl-N'-[3-(1-phenylpyrazol-4-yl)propanoyl]indole-3-carbohydrazide
SMILESCn1cc(C(=O)NNC(=O)CCc2cnn(-c3ccccc3)c2)c2ccccc21
InChIInChI=1S/C22H21N5O2/c1-26-15-19(18-9-5-6-10-20(18)26)22(29)25-24-21(28)12-11-16-13-23-27(14-16)17-7-3-2-4-8-17/h2-10,13-15H,11-12H2,1H3,(H,24,28)(H,25,29)
InChIKeySPRILRYXTSFEQC-UHFFFAOYSA-N
XLogP2.76
TPSA80.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-methyl-N'-[3-(1-phenylpyrazol-4-yl)propanoyl]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'-hexanoyl-1-methylindole-3-carbohydrazide
CID 46549476
1-methyl-N'-(4-pyrazol-1-ylbenzoyl)indole-3-carbohydrazide
CID 40717451
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-3-(1-phenylpyrazol-4-yl)propanamide
CID 31544557
N,N-dimethyl-3-[[3-(1-phenylpyrazol-4-yl)propanoylamino]carbamoyl]benzenesulfonamide
CID 26997204
N'-[2-(4-fluorophenoxy)acetyl]-3-(1-phenylpyrazol-4-yl)propanehydrazide
CID 26782133
1-methyl-N-[(Z)-(1-phenylpyrazol-4-yl)methylideneamino]indole-3-carboxamide
CID 8984307
N'-[2-(3-methylphenoxy)acetyl]-3-(1-phenylpyrazol-4-yl)propanehydrazide
CID 35768091
N-(2-methylpropyl)-2-[3-(1-phenylpyrazol-4-yl)propanoylamino]benzamide
CID 34733192
N'-[2-(2-phenylphenoxy)acetyl]-3-(1-phenylpyrazol-4-yl)propanehydrazide
CID 27568549
1-methyl-N'-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)butanoyl]indole-3-carbohydrazide
CID 24532442
4-[3-oxo-3-[(1-phenylpyrazol-4-yl)methylamino]propyl]benzoic acid
CID 84589243
N'-[4-(2,5-dimethylphenyl)-4-oxobutanoyl]-1-methylindole-3-carbohydrazide
CID 40717339

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N'-[3-(1-phenylpyrazol-4-yl)propanoyl]indole-3-carbohydrazide?
The IUPAC name of 1-methyl-N'-[3-(1-phenylpyrazol-4-yl)propanoyl]indole-3-carbohydrazide (CID 26815658) is 1-methyl-N'-[3-(1-phenylpyrazol-4-yl)propanoyl]indole-3-carbohydrazide.
What is the SMILES notation for 1-methyl-N'-[3-(1-phenylpyrazol-4-yl)propanoyl]indole-3-carbohydrazide?
The canonical SMILES for 1-methyl-N'-[3-(1-phenylpyrazol-4-yl)propanoyl]indole-3-carbohydrazide is Cn1cc(C(=O)NNC(=O)CCc2cnn(-c3ccccc3)c2)c2ccccc21.
What is the InChIKey of 1-methyl-N'-[3-(1-phenylpyrazol-4-yl)propanoyl]indole-3-carbohydrazide?
The InChIKey is SPRILRYXTSFEQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O2/c1-26-15-19(18-9-5-6-10-20(18)26)22(29)25-24-21(28)12-11-16-13-23-27(14-16)17-7-3-2-4-8-17/h2-10,13-15H,11-12H2,1H3,(H,24,28)(H,25,29).
What are the key properties of 1-methyl-N'-[3-(1-phenylpyrazol-4-yl)propanoyl]indole-3-carbohydrazide?
1-methyl-N'-[3-(1-phenylpyrazol-4-yl)propanoyl]indole-3-carbohydrazide has a molecular weight of 387.44 g/mol, XLogP of 2.76, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N'-[3-(1-phenylpyrazol-4-yl)propanoyl]indole-3-carbohydrazide is sourced from PubChem (CID 26815658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).