1-(3-chlorophenyl)-6,7-dimethoxy-N-(2-morpholin-4-ylethyl)-4H-indeno[2,1-d]pyrazole-3-carboxamide

C25H27ClN4O4 — CID 39034106

IUPAC1-(3-chlorophenyl)-6,7-dimethoxy-N-(2-morpholin-4-ylethyl)-4H-indeno[2,1-d]pyrazole-3-carboxamide
SMILESCOc1cc2c(cc1OC)-c1c(c(C(=O)NCCN3CCOCC3)nn1-c1cccc(Cl)c1)C2
InChIInChI=1S/C25H27ClN4O4/c1-32-21-13-16-12-20-23(25(31)27-6-7-29-8-10-34-11-9-29)28-30(18-5-3-4-17(26)14-18)24(20)19(16)15-22(21)33-2/h3-5,13-15H,6-12H2,1-2H3,(H,27,31)
InChIKeyQCGIDAAUKNSVFL-UHFFFAOYSA-N
MW482.97 g/mol
LogP3.18
Rot. Bonds7

About 1-(3-chlorophenyl)-6,7-dimethoxy-N-(2-morpholin-4-ylethyl)-4H-indeno[2,1-d]pyrazole-3-carboxamide

1-(3-chlorophenyl)-6,7-dimethoxy-N-(2-morpholin-4-ylethyl)-4H-indeno[2,1-d]pyrazole-3-carboxamide (PubChem CID 39034106) has the molecular formula C25H27ClN4O4 and a molecular weight of 482.97 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-6,7-dimethoxy-N-(2-morpholin-4-ylethyl)-4H-indeno[2,1-d]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(3-chlorophenyl)-6,7-dimethoxy-N-(2-morpholin-4-ylethyl)-4H-indeno[2,1-d]pyrazole-3-carboxamide
PubChem CID39034106
Molecular FormulaC25H27ClN4O4
Molecular Weight482.97 g/mol
Exact Mass482.17
IUPAC Name1-(3-chlorophenyl)-6,7-dimethoxy-N-(2-morpholin-4-ylethyl)-4H-indeno[2,1-d]pyrazole-3-carboxamide
SMILESCOc1cc2c(cc1OC)-c1c(c(C(=O)NCCN3CCOCC3)nn1-c1cccc(Cl)c1)C2
InChIInChI=1S/C25H27ClN4O4/c1-32-21-13-16-12-20-23(25(31)27-6-7-29-8-10-34-11-9-29)28-30(18-5-3-4-17(26)14-18)24(20)19(16)15-22(21)33-2/h3-5,13-15H,6-12H2,1-2H3,(H,27,31)
InChIKeyQCGIDAAUKNSVFL-UHFFFAOYSA-N
XLogP3.18
TPSA77.85 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.97
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-(3-chlorophenyl)-6,7-dimethoxy-N-(2-morpholin-4-ylethyl)-4H-indeno[2,1-d]pyrazole-3-carboxamide with MolForge

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Related Compounds

methyl 2-[(6,7-dimethoxy-1-phenyl-4H-indeno[2,1-d]pyrazole-3-carbonyl)amino]acetate
CID 29132718
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
3-chloro-N-(2-morpholin-4-ylethyl)benzamide
CID 669179
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
2-methoxy-6-methyl-N-(2-morpholin-4-ylethyl)benzamide
CID 131898398
1,5-bis(3-chlorophenyl)-N-(2-morpholin-4-ylethyl)-2-phenylimidazole-4-carboxamide
CID 50996418
methyl 1-(2-chlorophenyl)-6,7-dimethoxy-4H-indeno[2,1-d]pyrazole-3-carboxylate
CID 45491768
1-(4-fluorophenyl)-6,7-dimethoxy-N-(pyridin-3-ylmethyl)-4H-indeno[2,1-d]pyrazole-3-carboxamide
CID 39046743
4-(3,4-dimethoxyphenyl)-N-(4-morpholin-4-ylbutyl)-1-phenylpyrazole-3-carboxamide
CID 55847917
3-(3-methoxyphenyl)-N-(2-morpholin-4-ylethyl)-1-phenylpyrazole-5-carboxamide
CID 4588029

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-6,7-dimethoxy-N-(2-morpholin-4-ylethyl)-4H-indeno[2,1-d]pyrazole-3-carboxamide?
The IUPAC name of 1-(3-chlorophenyl)-6,7-dimethoxy-N-(2-morpholin-4-ylethyl)-4H-indeno[2,1-d]pyrazole-3-carboxamide (CID 39034106) is 1-(3-chlorophenyl)-6,7-dimethoxy-N-(2-morpholin-4-ylethyl)-4H-indeno[2,1-d]pyrazole-3-carboxamide.
What is the SMILES notation for 1-(3-chlorophenyl)-6,7-dimethoxy-N-(2-morpholin-4-ylethyl)-4H-indeno[2,1-d]pyrazole-3-carboxamide?
The canonical SMILES for 1-(3-chlorophenyl)-6,7-dimethoxy-N-(2-morpholin-4-ylethyl)-4H-indeno[2,1-d]pyrazole-3-carboxamide is COc1cc2c(cc1OC)-c1c(c(C(=O)NCCN3CCOCC3)nn1-c1cccc(Cl)c1)C2.
What is the InChIKey of 1-(3-chlorophenyl)-6,7-dimethoxy-N-(2-morpholin-4-ylethyl)-4H-indeno[2,1-d]pyrazole-3-carboxamide?
The InChIKey is QCGIDAAUKNSVFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27ClN4O4/c1-32-21-13-16-12-20-23(25(31)27-6-7-29-8-10-34-11-9-29)28-30(18-5-3-4-17(26)14-18)24(20)19(16)15-22(21)33-2/h3-5,13-15H,6-12H2,1-2H3,(H,27,31).
What are the key properties of 1-(3-chlorophenyl)-6,7-dimethoxy-N-(2-morpholin-4-ylethyl)-4H-indeno[2,1-d]pyrazole-3-carboxamide?
1-(3-chlorophenyl)-6,7-dimethoxy-N-(2-morpholin-4-ylethyl)-4H-indeno[2,1-d]pyrazole-3-carboxamide has a molecular weight of 482.97 g/mol, XLogP of 3.18, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-6,7-dimethoxy-N-(2-morpholin-4-ylethyl)-4H-indeno[2,1-d]pyrazole-3-carboxamide is sourced from PubChem (CID 39034106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).