[1-(3-chlorophenyl)-6,7-dimethoxy-4H-indeno[2,1-d]pyrazol-3-yl]-morpholin-4-ylmethanone

C23H22ClN3O4 — CID 39336062

IUPAC[1-(3-chlorophenyl)-6,7-dimethoxy-4H-indeno[2,1-d]pyrazol-3-yl]-morpholin-4-ylmethanone
SMILESCOc1cc2c(cc1OC)-c1c(c(C(=O)N3CCOCC3)nn1-c1cccc(Cl)c1)C2
InChIInChI=1S/C23H22ClN3O4/c1-29-19-11-14-10-18-21(23(28)26-6-8-31-9-7-26)25-27(16-5-3-4-15(24)12-16)22(18)17(14)13-20(19)30-2/h3-5,11-13H,6-10H2,1-2H3
InChIKeyIUTFOLNQZYYHFM-UHFFFAOYSA-N
MW439.90 g/mol
LogP3.59
Rot. Bonds4

About [1-(3-chlorophenyl)-6,7-dimethoxy-4H-indeno[2,1-d]pyrazol-3-yl]-morpholin-4-ylmethanone

[1-(3-chlorophenyl)-6,7-dimethoxy-4H-indeno[2,1-d]pyrazol-3-yl]-morpholin-4-ylmethanone (PubChem CID 39336062) has the molecular formula C23H22ClN3O4 and a molecular weight of 439.90 g/mol. Its IUPAC name is [1-(3-chlorophenyl)-6,7-dimethoxy-4H-indeno[2,1-d]pyrazol-3-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[1-(3-chlorophenyl)-6,7-dimethoxy-4H-indeno[2,1-d]pyrazol-3-yl]-morpholin-4-ylmethanone
PubChem CID39336062
Molecular FormulaC23H22ClN3O4
Molecular Weight439.90 g/mol
Exact Mass439.13
IUPAC Name[1-(3-chlorophenyl)-6,7-dimethoxy-4H-indeno[2,1-d]pyrazol-3-yl]-morpholin-4-ylmethanone
SMILESCOc1cc2c(cc1OC)-c1c(c(C(=O)N3CCOCC3)nn1-c1cccc(Cl)c1)C2
InChIInChI=1S/C23H22ClN3O4/c1-29-19-11-14-10-18-21(23(28)26-6-8-31-9-7-26)25-27(16-5-3-4-15(24)12-16)22(18)17(14)13-20(19)30-2/h3-5,11-13H,6-10H2,1-2H3
InChIKeyIUTFOLNQZYYHFM-UHFFFAOYSA-N
XLogP3.59
TPSA65.82 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.90
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[1-(3-chloro-4-fluorophenyl)-6,7-dimethoxy-4H-indeno[2,1-d]pyrazol-3-yl]-morpholin-4-ylmethanone
CID 39347640
1-(3-chlorophenyl)-6,7-dimethoxy-N-(2-morpholin-4-ylethyl)-4H-indeno[2,1-d]pyrazole-3-carboxamide
CID 39034106
6,7-dimethoxy-1-phenyl-4H-indeno[2,1-d]pyrazole-3-carboxylic acid
CID 39377695
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
methyl 2-[(6,7-dimethoxy-1-phenyl-4H-indeno[2,1-d]pyrazole-3-carbonyl)amino]acetate
CID 29132718
methyl 1-(2-chlorophenyl)-6,7-dimethoxy-4H-indeno[2,1-d]pyrazole-3-carboxylate
CID 45491768
(6,7-dimethoxy-1-methyl-4H-indeno[2,1-d]pyrazol-3-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 39309736
methyl 1-(4-fluorophenyl)-6,7-dimethoxy-4H-indeno[2,1-d]pyrazole-3-carboxylate
CID 45494711
1-(6,7-dimethoxy-1-methyl-4H-indeno[2,1-d]pyrazole-3-carbonyl)piperidine-4-carboxamide
CID 39337219
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-hydroxyphenyl)-5,5-dioxo-4H-thiochromeno[3,4-d]pyrazol-3-yl]-morpholin-4-ylmethanone
CID 66578928
1-(2,5-dichlorophenyl)-N-(2-hydroxyethyl)-6,7-dimethoxy-4H-indeno[2,1-d]pyrazole-3-carboxamide
CID 39311103

Frequently Asked Questions

What is the IUPAC name of [1-(3-chlorophenyl)-6,7-dimethoxy-4H-indeno[2,1-d]pyrazol-3-yl]-morpholin-4-ylmethanone?
The IUPAC name of [1-(3-chlorophenyl)-6,7-dimethoxy-4H-indeno[2,1-d]pyrazol-3-yl]-morpholin-4-ylmethanone (CID 39336062) is [1-(3-chlorophenyl)-6,7-dimethoxy-4H-indeno[2,1-d]pyrazol-3-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [1-(3-chlorophenyl)-6,7-dimethoxy-4H-indeno[2,1-d]pyrazol-3-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [1-(3-chlorophenyl)-6,7-dimethoxy-4H-indeno[2,1-d]pyrazol-3-yl]-morpholin-4-ylmethanone is COc1cc2c(cc1OC)-c1c(c(C(=O)N3CCOCC3)nn1-c1cccc(Cl)c1)C2.
What is the InChIKey of [1-(3-chlorophenyl)-6,7-dimethoxy-4H-indeno[2,1-d]pyrazol-3-yl]-morpholin-4-ylmethanone?
The InChIKey is IUTFOLNQZYYHFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClN3O4/c1-29-19-11-14-10-18-21(23(28)26-6-8-31-9-7-26)25-27(16-5-3-4-15(24)12-16)22(18)17(14)13-20(19)30-2/h3-5,11-13H,6-10H2,1-2H3.
What are the key properties of [1-(3-chlorophenyl)-6,7-dimethoxy-4H-indeno[2,1-d]pyrazol-3-yl]-morpholin-4-ylmethanone?
[1-(3-chlorophenyl)-6,7-dimethoxy-4H-indeno[2,1-d]pyrazol-3-yl]-morpholin-4-ylmethanone has a molecular weight of 439.90 g/mol, XLogP of 3.59, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-chlorophenyl)-6,7-dimethoxy-4H-indeno[2,1-d]pyrazol-3-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 39336062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).