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

C17H15N3O — CID 10084880

IUPACN-(3-methoxyphenyl)-1,4-dihydroindeno[2,1-d]pyrazol-3-amine
SMILESCOc1cccc(Nc2n[nH]c3c2Cc2ccccc2-3)c1
InChIInChI=1S/C17H15N3O/c1-21-13-7-4-6-12(10-13)18-17-15-9-11-5-2-3-8-14(11)16(15)19-20-17/h2-8,10H,9H2,1H3,(H2,18,19,20)
InChIKeyLGVUDXPSQQHMDW-UHFFFAOYSA-N
MW277.33 g/mol
LogP3.73
Rot. Bonds3

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

N-(3-methoxyphenyl)-1,4-dihydroindeno[2,1-d]pyrazol-3-amine (PubChem CID 10084880) has the molecular formula C17H15N3O and a molecular weight of 277.33 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-1,4-dihydroindeno[2,1-d]pyrazol-3-amine.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-1,4-dihydroindeno[2,1-d]pyrazol-3-amine
PubChem CID10084880
Molecular FormulaC17H15N3O
Molecular Weight277.33 g/mol
Exact Mass277.12
IUPAC NameN-(3-methoxyphenyl)-1,4-dihydroindeno[2,1-d]pyrazol-3-amine
SMILESCOc1cccc(Nc2n[nH]c3c2Cc2ccccc2-3)c1
InChIInChI=1S/C17H15N3O/c1-21-13-7-4-6-12(10-13)18-17-15-9-11-5-2-3-8-14(11)16(15)19-20-17/h2-8,10H,9H2,1H3,(H2,18,19,20)
InChIKeyLGVUDXPSQQHMDW-UHFFFAOYSA-N
XLogP3.73
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-1,4-dihydroindeno[2,1-d]pyrazol-3-amine?
The IUPAC name of N-(3-methoxyphenyl)-1,4-dihydroindeno[2,1-d]pyrazol-3-amine (CID 10084880) is N-(3-methoxyphenyl)-1,4-dihydroindeno[2,1-d]pyrazol-3-amine.
What is the SMILES notation for N-(3-methoxyphenyl)-1,4-dihydroindeno[2,1-d]pyrazol-3-amine?
The canonical SMILES for N-(3-methoxyphenyl)-1,4-dihydroindeno[2,1-d]pyrazol-3-amine is COc1cccc(Nc2n[nH]c3c2Cc2ccccc2-3)c1.
What is the InChIKey of N-(3-methoxyphenyl)-1,4-dihydroindeno[2,1-d]pyrazol-3-amine?
The InChIKey is LGVUDXPSQQHMDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O/c1-21-13-7-4-6-12(10-13)18-17-15-9-11-5-2-3-8-14(11)16(15)19-20-17/h2-8,10H,9H2,1H3,(H2,18,19,20).
What are the key properties of N-(3-methoxyphenyl)-1,4-dihydroindeno[2,1-d]pyrazol-3-amine?
N-(3-methoxyphenyl)-1,4-dihydroindeno[2,1-d]pyrazol-3-amine has a molecular weight of 277.33 g/mol, XLogP of 3.73, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-1,4-dihydroindeno[2,1-d]pyrazol-3-amine is sourced from PubChem (CID 10084880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).