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

C18H17N3O2 — CID 71720505

IUPACN-(3,4-dimethoxyphenyl)-1,4-dihydroindeno[2,1-d]pyrazol-3-amine
SMILESCOc1ccc(Nc2n[nH]c3c2Cc2ccccc2-3)cc1OC
InChIInChI=1S/C18H17N3O2/c1-22-15-8-7-12(10-16(15)23-2)19-18-14-9-11-5-3-4-6-13(11)17(14)20-21-18/h3-8,10H,9H2,1-2H3,(H2,19,20,21)
InChIKeyXYVKBUFAAYLDLV-UHFFFAOYSA-N
MW307.35 g/mol
LogP3.74
Rot. Bonds4

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

N-(3,4-dimethoxyphenyl)-1,4-dihydroindeno[2,1-d]pyrazol-3-amine (PubChem CID 71720505) has the molecular formula C18H17N3O2 and a molecular weight of 307.35 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-1,4-dihydroindeno[2,1-d]pyrazol-3-amine.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-1,4-dihydroindeno[2,1-d]pyrazol-3-amine
PubChem CID71720505
Molecular FormulaC18H17N3O2
Molecular Weight307.35 g/mol
Exact Mass307.13
IUPAC NameN-(3,4-dimethoxyphenyl)-1,4-dihydroindeno[2,1-d]pyrazol-3-amine
SMILESCOc1ccc(Nc2n[nH]c3c2Cc2ccccc2-3)cc1OC
InChIInChI=1S/C18H17N3O2/c1-22-15-8-7-12(10-16(15)23-2)19-18-14-9-11-5-3-4-6-13(11)17(14)20-21-18/h3-8,10H,9H2,1-2H3,(H2,19,20,21)
InChIKeyXYVKBUFAAYLDLV-UHFFFAOYSA-N
XLogP3.74
TPSA59.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-1,4-dihydroindeno[2,1-d]pyrazol-3-amine?
The IUPAC name of N-(3,4-dimethoxyphenyl)-1,4-dihydroindeno[2,1-d]pyrazol-3-amine (CID 71720505) is N-(3,4-dimethoxyphenyl)-1,4-dihydroindeno[2,1-d]pyrazol-3-amine.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-1,4-dihydroindeno[2,1-d]pyrazol-3-amine?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-1,4-dihydroindeno[2,1-d]pyrazol-3-amine is COc1ccc(Nc2n[nH]c3c2Cc2ccccc2-3)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-1,4-dihydroindeno[2,1-d]pyrazol-3-amine?
The InChIKey is XYVKBUFAAYLDLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2/c1-22-15-8-7-12(10-16(15)23-2)19-18-14-9-11-5-3-4-6-13(11)17(14)20-21-18/h3-8,10H,9H2,1-2H3,(H2,19,20,21).
What are the key properties of N-(3,4-dimethoxyphenyl)-1,4-dihydroindeno[2,1-d]pyrazol-3-amine?
N-(3,4-dimethoxyphenyl)-1,4-dihydroindeno[2,1-d]pyrazol-3-amine has a molecular weight of 307.35 g/mol, XLogP of 3.74, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-1,4-dihydroindeno[2,1-d]pyrazol-3-amine is sourced from PubChem (CID 71720505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).