6,7-dimethoxy-N-(3-propan-2-yloxyphenyl)-1,2-dihydroindeno[1,2-c]pyrazol-3-amine

C21H23N3O3 — CID 90836963

IUPAC6,7-dimethoxy-N-(3-propan-2-yloxyphenyl)-1,2-dihydroindeno[1,2-c]pyrazol-3-amine
SMILESCOc1cc2cc3c(Nc4cccc(OC(C)C)c4)[nH][nH]c-3c2cc1OC
InChIInChI=1S/C21H23N3O3/c1-12(2)27-15-7-5-6-14(10-15)22-21-17-8-13-9-18(25-3)19(26-4)11-16(13)20(17)23-24-21/h5-12,22-24H,1-4H3
InChIKeyFSLOGPGAPYDUEZ-UHFFFAOYSA-N
MW365.43 g/mol
LogP5.15
Rot. Bonds6

About 6,7-dimethoxy-N-(3-propan-2-yloxyphenyl)-1,2-dihydroindeno[1,2-c]pyrazol-3-amine

6,7-dimethoxy-N-(3-propan-2-yloxyphenyl)-1,2-dihydroindeno[1,2-c]pyrazol-3-amine (PubChem CID 90836963) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is 6,7-dimethoxy-N-(3-propan-2-yloxyphenyl)-1,2-dihydroindeno[1,2-c]pyrazol-3-amine.

Molecular Properties

Compound Name6,7-dimethoxy-N-(3-propan-2-yloxyphenyl)-1,2-dihydroindeno[1,2-c]pyrazol-3-amine
PubChem CID90836963
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC Name6,7-dimethoxy-N-(3-propan-2-yloxyphenyl)-1,2-dihydroindeno[1,2-c]pyrazol-3-amine
SMILESCOc1cc2cc3c(Nc4cccc(OC(C)C)c4)[nH][nH]c-3c2cc1OC
InChIInChI=1S/C21H23N3O3/c1-12(2)27-15-7-5-6-14(10-15)22-21-17-8-13-9-18(25-3)19(26-4)11-16(13)20(17)23-24-21/h5-12,22-24H,1-4H3
InChIKeyFSLOGPGAPYDUEZ-UHFFFAOYSA-N
XLogP5.15
TPSA71.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.43
LogP ≤ 55.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-N-(3-propan-2-yloxyphenyl)-1,2-dihydroindeno[1,2-c]pyrazol-3-amine?
The IUPAC name of 6,7-dimethoxy-N-(3-propan-2-yloxyphenyl)-1,2-dihydroindeno[1,2-c]pyrazol-3-amine (CID 90836963) is 6,7-dimethoxy-N-(3-propan-2-yloxyphenyl)-1,2-dihydroindeno[1,2-c]pyrazol-3-amine.
What is the SMILES notation for 6,7-dimethoxy-N-(3-propan-2-yloxyphenyl)-1,2-dihydroindeno[1,2-c]pyrazol-3-amine?
The canonical SMILES for 6,7-dimethoxy-N-(3-propan-2-yloxyphenyl)-1,2-dihydroindeno[1,2-c]pyrazol-3-amine is COc1cc2cc3c(Nc4cccc(OC(C)C)c4)[nH][nH]c-3c2cc1OC.
What is the InChIKey of 6,7-dimethoxy-N-(3-propan-2-yloxyphenyl)-1,2-dihydroindeno[1,2-c]pyrazol-3-amine?
The InChIKey is FSLOGPGAPYDUEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3/c1-12(2)27-15-7-5-6-14(10-15)22-21-17-8-13-9-18(25-3)19(26-4)11-16(13)20(17)23-24-21/h5-12,22-24H,1-4H3.
What are the key properties of 6,7-dimethoxy-N-(3-propan-2-yloxyphenyl)-1,2-dihydroindeno[1,2-c]pyrazol-3-amine?
6,7-dimethoxy-N-(3-propan-2-yloxyphenyl)-1,2-dihydroindeno[1,2-c]pyrazol-3-amine has a molecular weight of 365.43 g/mol, XLogP of 5.15, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-N-(3-propan-2-yloxyphenyl)-1,2-dihydroindeno[1,2-c]pyrazol-3-amine is sourced from PubChem (CID 90836963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).