3-[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]-1-propylpyrazole-5-carbohydrazide

C22H21Cl2N5O — CID 56649532

IUPAC3-[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]-1-propylpyrazole-5-carbohydrazide
SMILESCCCn1nc(-c2cn(Cc3ccc(Cl)c(Cl)c3)c3ccccc23)cc1C(=O)NN
InChIInChI=1S/C22H21Cl2N5O/c1-2-9-29-21(22(30)26-25)11-19(27-29)16-13-28(20-6-4-3-5-15(16)20)12-14-7-8-17(23)18(24)10-14/h3-8,10-11,13H,2,9,12,25H2,1H3,(H,26,30)
InChIKeyAIWSBQYOYQDUIU-UHFFFAOYSA-N
MW442.35 g/mol
LogP4.87
Rot. Bonds6

About 3-[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]-1-propylpyrazole-5-carbohydrazide

3-[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]-1-propylpyrazole-5-carbohydrazide (PubChem CID 56649532) has the molecular formula C22H21Cl2N5O and a molecular weight of 442.35 g/mol. Its IUPAC name is 3-[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]-1-propylpyrazole-5-carbohydrazide.

Molecular Properties

Compound Name3-[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]-1-propylpyrazole-5-carbohydrazide
PubChem CID56649532
Molecular FormulaC22H21Cl2N5O
Molecular Weight442.35 g/mol
Exact Mass441.11
IUPAC Name3-[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]-1-propylpyrazole-5-carbohydrazide
SMILESCCCn1nc(-c2cn(Cc3ccc(Cl)c(Cl)c3)c3ccccc23)cc1C(=O)NN
InChIInChI=1S/C22H21Cl2N5O/c1-2-9-29-21(22(30)26-25)11-19(27-29)16-13-28(20-6-4-3-5-15(16)20)12-14-7-8-17(23)18(24)10-14/h3-8,10-11,13H,2,9,12,25H2,1H3,(H,26,30)
InChIKeyAIWSBQYOYQDUIU-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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Related Compounds

N-Benzyl-4-(4-(3-chlorophenyl)-1H-pyrazol-3-yl)-N-methyl-1H-pyrrole-2-carboxamide
CID 135523938
N'-(4-Chlorobenzylidene)-5-(1-methyl-1H-pyrrol-2-yl)-1H-pyrazole-3-carbohydrazide
CID 6900529
1-[(4-Fluorophenyl)methyl]-3-(1-propylindol-3-yl)pyrazole-5-carbohydrazide
CID 56649530
N-[4-(4-butanoyl-5-methylpyrazol-1-yl)phenyl]-5-chloro-1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]indole-3-carboxamide
CID 66576298
N-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]-1H-indazole-3-carboxamide
CID 71259651
1H-Indole-3-carboxamide, 5-chloro-N-[4-[5-methyl-4-(1-oxobutyl)-1H-pyrazol-1-yl]-1-piperidinyl]-1-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-
CID 73603967
N-[4-(4-butanoyl-5-methylpyrazol-1-yl)cyclohexyl]-5-chloro-1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]indole-3-carboxamide
CID 74220534
[(2S)-2-(4-chlorophenyl)pyrrolidin-1-yl]-(3-methyl-2H-pyrazolo[3,4-c]pyridin-5-yl)methanone
CID 118879403
4-(4-(3-chlorophenyl)-1H-pyrazol-3-yl)-N-phenyl-1H-pyrrole-2-carboxamide
CID 135523956
4-[[1-[(3,4-Dichlorophenyl)methyl]-3-indolyl]-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-5-methyl-1,2-dihydropyrazol-3-one
CID 2929846
N-[4-(4-butanoyl-5-methylpyrazol-1-yl)phenyl]-5,6-dichloro-1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]indole-3-carboxamide
CID 118711186
5-chloro-1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-N-[4-(5-methyl-4-propanoylpyrazol-1-yl)phenyl]indole-3-carboxamide
CID 118711192

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]-1-propylpyrazole-5-carbohydrazide?
The IUPAC name of 3-[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]-1-propylpyrazole-5-carbohydrazide (CID 56649532) is 3-[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]-1-propylpyrazole-5-carbohydrazide.
What is the SMILES notation for 3-[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]-1-propylpyrazole-5-carbohydrazide?
The canonical SMILES for 3-[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]-1-propylpyrazole-5-carbohydrazide is CCCn1nc(-c2cn(Cc3ccc(Cl)c(Cl)c3)c3ccccc23)cc1C(=O)NN.
What is the InChIKey of 3-[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]-1-propylpyrazole-5-carbohydrazide?
The InChIKey is AIWSBQYOYQDUIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21Cl2N5O/c1-2-9-29-21(22(30)26-25)11-19(27-29)16-13-28(20-6-4-3-5-15(16)20)12-14-7-8-17(23)18(24)10-14/h3-8,10-11,13H,2,9,12,25H2,1H3,(H,26,30).
What are the key properties of 3-[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]-1-propylpyrazole-5-carbohydrazide?
3-[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]-1-propylpyrazole-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 3-[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]-1-propylpyrazole-5-carbohydrazide is sourced from PubChem (CID 56649532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).