N-(3,5-dimethoxyphenyl)-6-methoxy-1,4-dihydroindeno[2,1-d]pyrazol-3-amine

C19H19N3O3 — CID 122178343

IUPACN-(3,5-dimethoxyphenyl)-6-methoxy-1,4-dihydroindeno[2,1-d]pyrazol-3-amine
SMILESCOc1cc(Nc2n[nH]c3c2Cc2cc(OC)ccc2-3)cc(OC)c1
InChIInChI=1S/C19H19N3O3/c1-23-13-4-5-16-11(6-13)7-17-18(16)21-22-19(17)20-12-8-14(24-2)10-15(9-12)25-3/h4-6,8-10H,7H2,1-3H3,(H2,20,21,22)
InChIKeySAZFETDTFQGKCW-UHFFFAOYSA-N
MW337.38 g/mol
LogP3.75
Rot. Bonds5

About N-(3,5-dimethoxyphenyl)-6-methoxy-1,4-dihydroindeno[2,1-d]pyrazol-3-amine

N-(3,5-dimethoxyphenyl)-6-methoxy-1,4-dihydroindeno[2,1-d]pyrazol-3-amine (PubChem CID 122178343) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is N-(3,5-dimethoxyphenyl)-6-methoxy-1,4-dihydroindeno[2,1-d]pyrazol-3-amine.

Molecular Properties

Compound NameN-(3,5-dimethoxyphenyl)-6-methoxy-1,4-dihydroindeno[2,1-d]pyrazol-3-amine
PubChem CID122178343
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC NameN-(3,5-dimethoxyphenyl)-6-methoxy-1,4-dihydroindeno[2,1-d]pyrazol-3-amine
SMILESCOc1cc(Nc2n[nH]c3c2Cc2cc(OC)ccc2-3)cc(OC)c1
InChIInChI=1S/C19H19N3O3/c1-23-13-4-5-16-11(6-13)7-17-18(16)21-22-19(17)20-12-8-14(24-2)10-15(9-12)25-3/h4-6,8-10H,7H2,1-3H3,(H2,20,21,22)
InChIKeySAZFETDTFQGKCW-UHFFFAOYSA-N
XLogP3.75
TPSA68.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethoxyphenyl)-6-methoxy-1,4-dihydroindeno[2,1-d]pyrazol-3-amine?
The IUPAC name of N-(3,5-dimethoxyphenyl)-6-methoxy-1,4-dihydroindeno[2,1-d]pyrazol-3-amine (CID 122178343) is N-(3,5-dimethoxyphenyl)-6-methoxy-1,4-dihydroindeno[2,1-d]pyrazol-3-amine.
What is the SMILES notation for N-(3,5-dimethoxyphenyl)-6-methoxy-1,4-dihydroindeno[2,1-d]pyrazol-3-amine?
The canonical SMILES for N-(3,5-dimethoxyphenyl)-6-methoxy-1,4-dihydroindeno[2,1-d]pyrazol-3-amine is COc1cc(Nc2n[nH]c3c2Cc2cc(OC)ccc2-3)cc(OC)c1.
What is the InChIKey of N-(3,5-dimethoxyphenyl)-6-methoxy-1,4-dihydroindeno[2,1-d]pyrazol-3-amine?
The InChIKey is SAZFETDTFQGKCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3/c1-23-13-4-5-16-11(6-13)7-17-18(16)21-22-19(17)20-12-8-14(24-2)10-15(9-12)25-3/h4-6,8-10H,7H2,1-3H3,(H2,20,21,22).
What are the key properties of N-(3,5-dimethoxyphenyl)-6-methoxy-1,4-dihydroindeno[2,1-d]pyrazol-3-amine?
N-(3,5-dimethoxyphenyl)-6-methoxy-1,4-dihydroindeno[2,1-d]pyrazol-3-amine has a molecular weight of 337.38 g/mol, XLogP of 3.75, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethoxyphenyl)-6-methoxy-1,4-dihydroindeno[2,1-d]pyrazol-3-amine is sourced from PubChem (CID 122178343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).