1-(2,5-dichlorophenyl)-N-(3-hydroxypropyl)-6,7-dimethoxy-4H-indeno[2,1-d]pyrazole-3-carboxamide

C22H21Cl2N3O4 — CID 39335122

IUPAC1-(2,5-dichlorophenyl)-N-(3-hydroxypropyl)-6,7-dimethoxy-4H-indeno[2,1-d]pyrazole-3-carboxamide
SMILESCOc1cc2c(cc1OC)-c1c(c(C(=O)NCCCO)nn1-c1cc(Cl)ccc1Cl)C2
InChIInChI=1S/C22H21Cl2N3O4/c1-30-18-9-12-8-15-20(22(29)25-6-3-7-28)26-27(17-10-13(23)4-5-16(17)24)21(15)14(12)11-19(18)31-2/h4-5,9-11,28H,3,6-8H2,1-2H3,(H,25,29)
InChIKeyIANHLZKRVATCJT-UHFFFAOYSA-N
MW462.33 g/mol
LogP3.88
Rot. Bonds7

About 1-(2,5-dichlorophenyl)-N-(3-hydroxypropyl)-6,7-dimethoxy-4H-indeno[2,1-d]pyrazole-3-carboxamide

1-(2,5-dichlorophenyl)-N-(3-hydroxypropyl)-6,7-dimethoxy-4H-indeno[2,1-d]pyrazole-3-carboxamide (PubChem CID 39335122) has the molecular formula C22H21Cl2N3O4 and a molecular weight of 462.33 g/mol. Its IUPAC name is 1-(2,5-dichlorophenyl)-N-(3-hydroxypropyl)-6,7-dimethoxy-4H-indeno[2,1-d]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(2,5-dichlorophenyl)-N-(3-hydroxypropyl)-6,7-dimethoxy-4H-indeno[2,1-d]pyrazole-3-carboxamide
PubChem CID39335122
Molecular FormulaC22H21Cl2N3O4
Molecular Weight462.33 g/mol
Exact Mass461.09
IUPAC Name1-(2,5-dichlorophenyl)-N-(3-hydroxypropyl)-6,7-dimethoxy-4H-indeno[2,1-d]pyrazole-3-carboxamide
SMILESCOc1cc2c(cc1OC)-c1c(c(C(=O)NCCCO)nn1-c1cc(Cl)ccc1Cl)C2
InChIInChI=1S/C22H21Cl2N3O4/c1-30-18-9-12-8-15-20(22(29)25-6-3-7-28)26-27(17-10-13(23)4-5-16(17)24)21(15)14(12)11-19(18)31-2/h4-5,9-11,28H,3,6-8H2,1-2H3,(H,25,29)
InChIKeyIANHLZKRVATCJT-UHFFFAOYSA-N
XLogP3.88
TPSA85.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.33
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(2,5-dichlorophenyl)-N-(2-hydroxyethyl)-6,7-dimethoxy-4H-indeno[2,1-d]pyrazole-3-carboxamide
CID 39311103
methyl 1-(2-chlorophenyl)-6,7-dimethoxy-4H-indeno[2,1-d]pyrazole-3-carboxylate
CID 45491768
1-(3-chlorophenyl)-6,7-dimethoxy-N-(2-morpholin-4-ylethyl)-4H-indeno[2,1-d]pyrazole-3-carboxamide
CID 39034106
methyl 2-[(6,7-dimethoxy-1-phenyl-4H-indeno[2,1-d]pyrazole-3-carbonyl)amino]acetate
CID 29132718
6,7-dimethoxy-N-[2-(4-methoxyphenyl)ethyl]-1-phenyl-4H-indeno[2,1-d]pyrazole-3-carboxamide
CID 29135910
1-(4-fluorophenyl)-N-(3-imidazol-1-ylpropyl)-6,7-dimethoxy-4H-indeno[2,1-d]pyrazole-3-carboxamide
CID 39038738
1-(4-chlorophenyl)-6,7-dimethoxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4H-indeno[2,1-d]pyrazole-3-carboxamide
CID 39038190
N-(3-chloro-4-fluorophenyl)-6,7-dimethoxy-1-methyl-4H-indeno[2,1-d]pyrazole-3-carboxamide
CID 39335358
N-[(3R)-1,1-dioxothiolan-3-yl]-1-(2-fluorophenyl)-6,7-dimethoxy-4H-indeno[2,1-d]pyrazole-3-carboxamide
CID 39310941
1-(3-chlorophenyl)-6,7-dimethoxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4H-indeno[2,1-d]pyrazole-3-carboxamide
CID 39035547
5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N-(3-hydroxypropyl)-4-methylpyrazole-3-carboxamide
CID 10884669
6,7-dimethoxy-1-phenyl-4H-indeno[2,1-d]pyrazole-3-carboxylic acid
CID 39377695

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorophenyl)-N-(3-hydroxypropyl)-6,7-dimethoxy-4H-indeno[2,1-d]pyrazole-3-carboxamide?
The IUPAC name of 1-(2,5-dichlorophenyl)-N-(3-hydroxypropyl)-6,7-dimethoxy-4H-indeno[2,1-d]pyrazole-3-carboxamide (CID 39335122) is 1-(2,5-dichlorophenyl)-N-(3-hydroxypropyl)-6,7-dimethoxy-4H-indeno[2,1-d]pyrazole-3-carboxamide.
What is the SMILES notation for 1-(2,5-dichlorophenyl)-N-(3-hydroxypropyl)-6,7-dimethoxy-4H-indeno[2,1-d]pyrazole-3-carboxamide?
The canonical SMILES for 1-(2,5-dichlorophenyl)-N-(3-hydroxypropyl)-6,7-dimethoxy-4H-indeno[2,1-d]pyrazole-3-carboxamide is COc1cc2c(cc1OC)-c1c(c(C(=O)NCCCO)nn1-c1cc(Cl)ccc1Cl)C2.
What is the InChIKey of 1-(2,5-dichlorophenyl)-N-(3-hydroxypropyl)-6,7-dimethoxy-4H-indeno[2,1-d]pyrazole-3-carboxamide?
The InChIKey is IANHLZKRVATCJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21Cl2N3O4/c1-30-18-9-12-8-15-20(22(29)25-6-3-7-28)26-27(17-10-13(23)4-5-16(17)24)21(15)14(12)11-19(18)31-2/h4-5,9-11,28H,3,6-8H2,1-2H3,(H,25,29).
What are the key properties of 1-(2,5-dichlorophenyl)-N-(3-hydroxypropyl)-6,7-dimethoxy-4H-indeno[2,1-d]pyrazole-3-carboxamide?
1-(2,5-dichlorophenyl)-N-(3-hydroxypropyl)-6,7-dimethoxy-4H-indeno[2,1-d]pyrazole-3-carboxamide has a molecular weight of 462.33 g/mol, XLogP of 3.88, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichlorophenyl)-N-(3-hydroxypropyl)-6,7-dimethoxy-4H-indeno[2,1-d]pyrazole-3-carboxamide is sourced from PubChem (CID 39335122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).