6,7-diethoxy-N-(3-methoxyphenyl)-4-methyl-1,2-dihydroindeno[1,2-c]pyrazol-3-amine

C22H25N3O3 — CID 91148404

IUPAC6,7-diethoxy-N-(3-methoxyphenyl)-4-methyl-1,2-dihydroindeno[1,2-c]pyrazol-3-amine
SMILESCCOc1cc2c3[nH][nH]c(Nc4cccc(OC)c4)c-3c(C)c2cc1OCC
InChIInChI=1S/C22H25N3O3/c1-5-27-18-11-16-13(3)20-21(17(16)12-19(18)28-6-2)24-25-22(20)23-14-8-7-9-15(10-14)26-4/h7-12,23-25H,5-6H2,1-4H3
InChIKeyCSUKJTARNUDRCL-UHFFFAOYSA-N
MW379.46 g/mol
LogP5.46
Rot. Bonds7

About 6,7-diethoxy-N-(3-methoxyphenyl)-4-methyl-1,2-dihydroindeno[1,2-c]pyrazol-3-amine

6,7-diethoxy-N-(3-methoxyphenyl)-4-methyl-1,2-dihydroindeno[1,2-c]pyrazol-3-amine (PubChem CID 91148404) has the molecular formula C22H25N3O3 and a molecular weight of 379.46 g/mol. Its IUPAC name is 6,7-diethoxy-N-(3-methoxyphenyl)-4-methyl-1,2-dihydroindeno[1,2-c]pyrazol-3-amine.

Molecular Properties

Compound Name6,7-diethoxy-N-(3-methoxyphenyl)-4-methyl-1,2-dihydroindeno[1,2-c]pyrazol-3-amine
PubChem CID91148404
Molecular FormulaC22H25N3O3
Molecular Weight379.46 g/mol
Exact Mass379.19
IUPAC Name6,7-diethoxy-N-(3-methoxyphenyl)-4-methyl-1,2-dihydroindeno[1,2-c]pyrazol-3-amine
SMILESCCOc1cc2c3[nH][nH]c(Nc4cccc(OC)c4)c-3c(C)c2cc1OCC
InChIInChI=1S/C22H25N3O3/c1-5-27-18-11-16-13(3)20-21(17(16)12-19(18)28-6-2)24-25-22(20)23-14-8-7-9-15(10-14)26-4/h7-12,23-25H,5-6H2,1-4H3
InChIKeyCSUKJTARNUDRCL-UHFFFAOYSA-N
XLogP5.46
TPSA71.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.46
LogP ≤ 55.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-ethoxyphenyl)-4-ethyl-6,7-dimethoxy-1,2-dihydroindeno[1,2-c]pyrazol-3-amine
CID 91002891
N-(3-bromophenyl)-4-methyl-6,7-di(propan-2-yloxy)-1,2-dihydroindeno[1,2-c]pyrazol-3-amine
CID 91332679
3-ethoxy-4-(3-methoxyanilino)cyclobut-3-ene-1,2-dione
CID 2823065
2-ethoxy-N-(3-methoxyphenyl)benzamide
CID 760215
6-fluoro-N-(3-methoxyphenyl)-1,2-dihydroindeno[1,2-c]pyrazol-3-amine
CID 91392845
6-butoxy-N-(3-methoxyphenyl)-7-methylquinazolin-4-amine
CID 142857826
6,7-diethoxy-N-(3-phenoxyphenyl)quinazolin-4-amine
CID 56984561
6,7-dimethoxy-N-(3-propan-2-yloxyphenyl)-1,2-dihydroindeno[1,2-c]pyrazol-3-amine
CID 90836963
3-chloro-5-ethoxy-N-(3-methoxyphenyl)-4-propoxybenzamide
CID 3610784
2-ethyl-N-(3-methoxyphenyl)-1H-indol-4-amine
CID 175311267
N'-(2,5-dimethoxyphenyl)-N-(3-ethoxyphenyl)ethane-1,2-diamine
CID 54807830
1-N,2-N-bis(3-methoxyphenyl)benzene-1,2-diamine
CID 19351985

Frequently Asked Questions

What is the IUPAC name of 6,7-diethoxy-N-(3-methoxyphenyl)-4-methyl-1,2-dihydroindeno[1,2-c]pyrazol-3-amine?
The IUPAC name of 6,7-diethoxy-N-(3-methoxyphenyl)-4-methyl-1,2-dihydroindeno[1,2-c]pyrazol-3-amine (CID 91148404) is 6,7-diethoxy-N-(3-methoxyphenyl)-4-methyl-1,2-dihydroindeno[1,2-c]pyrazol-3-amine.
What is the SMILES notation for 6,7-diethoxy-N-(3-methoxyphenyl)-4-methyl-1,2-dihydroindeno[1,2-c]pyrazol-3-amine?
The canonical SMILES for 6,7-diethoxy-N-(3-methoxyphenyl)-4-methyl-1,2-dihydroindeno[1,2-c]pyrazol-3-amine is CCOc1cc2c3[nH][nH]c(Nc4cccc(OC)c4)c-3c(C)c2cc1OCC.
What is the InChIKey of 6,7-diethoxy-N-(3-methoxyphenyl)-4-methyl-1,2-dihydroindeno[1,2-c]pyrazol-3-amine?
The InChIKey is CSUKJTARNUDRCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3/c1-5-27-18-11-16-13(3)20-21(17(16)12-19(18)28-6-2)24-25-22(20)23-14-8-7-9-15(10-14)26-4/h7-12,23-25H,5-6H2,1-4H3.
What are the key properties of 6,7-diethoxy-N-(3-methoxyphenyl)-4-methyl-1,2-dihydroindeno[1,2-c]pyrazol-3-amine?
6,7-diethoxy-N-(3-methoxyphenyl)-4-methyl-1,2-dihydroindeno[1,2-c]pyrazol-3-amine has a molecular weight of 379.46 g/mol, XLogP of 5.46, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-diethoxy-N-(3-methoxyphenyl)-4-methyl-1,2-dihydroindeno[1,2-c]pyrazol-3-amine is sourced from PubChem (CID 91148404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).