1-[(2,4-dichlorophenyl)methyl]-3-(1-propylindol-3-yl)pyrazole-5-carbohydrazide

C22H21Cl2N5O — CID 56934719

IUPAC1-[(2,4-dichlorophenyl)methyl]-3-(1-propylindol-3-yl)pyrazole-5-carbohydrazide
SMILESCCCn1cc(-c2cc(C(=O)NN)n(Cc3ccc(Cl)cc3Cl)n2)c2ccccc21
InChIInChI=1S/C22H21Cl2N5O/c1-2-9-28-13-17(16-5-3-4-6-20(16)28)19-11-21(22(30)26-25)29(27-19)12-14-7-8-15(23)10-18(14)24/h3-8,10-11,13H,2,9,12,25H2,1H3,(H,26,30)
InChIKeyMWDZDGGAXAQHST-UHFFFAOYSA-N
MW442.35 g/mol
LogP4.87
Rot. Bonds6

About 1-[(2,4-dichlorophenyl)methyl]-3-(1-propylindol-3-yl)pyrazole-5-carbohydrazide

1-[(2,4-dichlorophenyl)methyl]-3-(1-propylindol-3-yl)pyrazole-5-carbohydrazide (PubChem CID 56934719) has the molecular formula C22H21Cl2N5O and a molecular weight of 442.35 g/mol. Its IUPAC name is 1-[(2,4-dichlorophenyl)methyl]-3-(1-propylindol-3-yl)pyrazole-5-carbohydrazide.

Molecular Properties

Compound Name1-[(2,4-dichlorophenyl)methyl]-3-(1-propylindol-3-yl)pyrazole-5-carbohydrazide
PubChem CID56934719
Molecular FormulaC22H21Cl2N5O
Molecular Weight442.35 g/mol
Exact Mass441.11
IUPAC Name1-[(2,4-dichlorophenyl)methyl]-3-(1-propylindol-3-yl)pyrazole-5-carbohydrazide
SMILESCCCn1cc(-c2cc(C(=O)NN)n(Cc3ccc(Cl)cc3Cl)n2)c2ccccc21
InChIInChI=1S/C22H21Cl2N5O/c1-2-9-28-13-17(16-5-3-4-6-20(16)28)19-11-21(22(30)26-25)29(27-19)12-14-7-8-15(23)10-18(14)24/h3-8,10-11,13H,2,9,12,25H2,1H3,(H,26,30)
InChIKeyMWDZDGGAXAQHST-UHFFFAOYSA-N
XLogP4.87
TPSA77.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.35
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-dichlorophenyl)methyl]-3-(1-propylindol-3-yl)pyrazole-5-carbohydrazide?
The IUPAC name of 1-[(2,4-dichlorophenyl)methyl]-3-(1-propylindol-3-yl)pyrazole-5-carbohydrazide (CID 56934719) is 1-[(2,4-dichlorophenyl)methyl]-3-(1-propylindol-3-yl)pyrazole-5-carbohydrazide.
What is the SMILES notation for 1-[(2,4-dichlorophenyl)methyl]-3-(1-propylindol-3-yl)pyrazole-5-carbohydrazide?
The canonical SMILES for 1-[(2,4-dichlorophenyl)methyl]-3-(1-propylindol-3-yl)pyrazole-5-carbohydrazide is CCCn1cc(-c2cc(C(=O)NN)n(Cc3ccc(Cl)cc3Cl)n2)c2ccccc21.
What is the InChIKey of 1-[(2,4-dichlorophenyl)methyl]-3-(1-propylindol-3-yl)pyrazole-5-carbohydrazide?
The InChIKey is MWDZDGGAXAQHST-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21Cl2N5O/c1-2-9-28-13-17(16-5-3-4-6-20(16)28)19-11-21(22(30)26-25)29(27-19)12-14-7-8-15(23)10-18(14)24/h3-8,10-11,13H,2,9,12,25H2,1H3,(H,26,30).
What are the key properties of 1-[(2,4-dichlorophenyl)methyl]-3-(1-propylindol-3-yl)pyrazole-5-carbohydrazide?
1-[(2,4-dichlorophenyl)methyl]-3-(1-propylindol-3-yl)pyrazole-5-carbohydrazide has a molecular weight of 442.35 g/mol, XLogP of 4.87, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-dichlorophenyl)methyl]-3-(1-propylindol-3-yl)pyrazole-5-carbohydrazide is sourced from PubChem (CID 56934719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).