1-(3-chlorophenyl)-6,7-dimethoxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4H-indeno[2,1-d]pyrazole-3-carboxamide

C22H18ClN5O3S — CID 39035547

IUPAC1-(3-chlorophenyl)-6,7-dimethoxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4H-indeno[2,1-d]pyrazole-3-carboxamide
SMILESCOc1cc2c(cc1OC)-c1c(c(C(=O)Nc3nnc(C)s3)nn1-c1cccc(Cl)c1)C2
InChIInChI=1S/C22H18ClN5O3S/c1-11-25-26-22(32-11)24-21(29)19-16-7-12-8-17(30-2)18(31-3)10-15(12)20(16)28(27-19)14-6-4-5-13(23)9-14/h4-6,8-10H,7H2,1-3H3,(H,24,26,29)
InChIKeyPHXZZQMKWOKCMP-UHFFFAOYSA-N
MW467.94 g/mol
LogP4.53
Rot. Bonds5

About 1-(3-chlorophenyl)-6,7-dimethoxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4H-indeno[2,1-d]pyrazole-3-carboxamide

1-(3-chlorophenyl)-6,7-dimethoxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4H-indeno[2,1-d]pyrazole-3-carboxamide (PubChem CID 39035547) has the molecular formula C22H18ClN5O3S and a molecular weight of 467.94 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-6,7-dimethoxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4H-indeno[2,1-d]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(3-chlorophenyl)-6,7-dimethoxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4H-indeno[2,1-d]pyrazole-3-carboxamide
PubChem CID39035547
Molecular FormulaC22H18ClN5O3S
Molecular Weight467.94 g/mol
Exact Mass467.08
IUPAC Name1-(3-chlorophenyl)-6,7-dimethoxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4H-indeno[2,1-d]pyrazole-3-carboxamide
SMILESCOc1cc2c(cc1OC)-c1c(c(C(=O)Nc3nnc(C)s3)nn1-c1cccc(Cl)c1)C2
InChIInChI=1S/C22H18ClN5O3S/c1-11-25-26-22(32-11)24-21(29)19-16-7-12-8-17(30-2)18(31-3)10-15(12)20(16)28(27-19)14-6-4-5-13(23)9-14/h4-6,8-10H,7H2,1-3H3,(H,24,26,29)
InChIKeyPHXZZQMKWOKCMP-UHFFFAOYSA-N
XLogP4.53
TPSA91.16 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.94
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

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
1-(3-chlorophenyl)-6,7-dimethoxy-N-(2-morpholin-4-ylethyl)-4H-indeno[2,1-d]pyrazole-3-carboxamide
CID 39034106
[1-(3-chlorophenyl)-6,7-dimethoxy-4H-indeno[2,1-d]pyrazol-3-yl]-morpholin-4-ylmethanone
CID 39336062
methyl 2-[(6,7-dimethoxy-1-phenyl-4H-indeno[2,1-d]pyrazole-3-carbonyl)amino]acetate
CID 29132718
6,7-dimethoxy-1-phenyl-4H-indeno[2,1-d]pyrazole-3-carboxylic acid
CID 39377695
1-(2,5-dichlorophenyl)-N-(2-hydroxyethyl)-6,7-dimethoxy-4H-indeno[2,1-d]pyrazole-3-carboxamide
CID 39311103
6,7-dimethoxy-N-[2-(4-methoxyphenyl)ethyl]-1-phenyl-4H-indeno[2,1-d]pyrazole-3-carboxamide
CID 29135910
methyl 1-(2-chlorophenyl)-6,7-dimethoxy-4H-indeno[2,1-d]pyrazole-3-carboxylate
CID 45491768
1-(4-bromophenyl)-6,7-dimethoxy-N-(1,2-oxazol-3-yl)-4H-indeno[2,1-d]pyrazole-3-carboxamide
CID 39313095
1-(2,5-dichlorophenyl)-N-(3-hydroxypropyl)-6,7-dimethoxy-4H-indeno[2,1-d]pyrazole-3-carboxamide
CID 39335122
methyl 1-(4-fluorophenyl)-6,7-dimethoxy-4H-indeno[2,1-d]pyrazole-3-carboxylate
CID 45494711
1-(3-bromophenyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 47047806

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-6,7-dimethoxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4H-indeno[2,1-d]pyrazole-3-carboxamide?
The IUPAC name of 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) is 1-(3-chlorophenyl)-6,7-dimethoxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4H-indeno[2,1-d]pyrazole-3-carboxamide.
What is the SMILES notation for 1-(3-chlorophenyl)-6,7-dimethoxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4H-indeno[2,1-d]pyrazole-3-carboxamide?
The canonical SMILES for 1-(3-chlorophenyl)-6,7-dimethoxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4H-indeno[2,1-d]pyrazole-3-carboxamide is COc1cc2c(cc1OC)-c1c(c(C(=O)Nc3nnc(C)s3)nn1-c1cccc(Cl)c1)C2.
What is the InChIKey of 1-(3-chlorophenyl)-6,7-dimethoxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4H-indeno[2,1-d]pyrazole-3-carboxamide?
The InChIKey is PHXZZQMKWOKCMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClN5O3S/c1-11-25-26-22(32-11)24-21(29)19-16-7-12-8-17(30-2)18(31-3)10-15(12)20(16)28(27-19)14-6-4-5-13(23)9-14/h4-6,8-10H,7H2,1-3H3,(H,24,26,29).
What are the key properties of 1-(3-chlorophenyl)-6,7-dimethoxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4H-indeno[2,1-d]pyrazole-3-carboxamide?
1-(3-chlorophenyl)-6,7-dimethoxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4H-indeno[2,1-d]pyrazole-3-carboxamide has a molecular weight of 467.94 g/mol, XLogP of 4.53, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-6,7-dimethoxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4H-indeno[2,1-d]pyrazole-3-carboxamide is sourced from PubChem (CID 39035547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).