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

C18H16FN3O2 — CID 18445556

IUPACN-(3,5-dimethoxyphenyl)-6-fluoro-1,4-dihydroindeno[2,1-d]pyrazol-3-amine
SMILESCOc1cc(Nc2n[nH]c3c2Cc2cc(F)ccc2-3)cc(OC)c1
InChIInChI=1S/C18H16FN3O2/c1-23-13-7-12(8-14(9-13)24-2)20-18-16-6-10-5-11(19)3-4-15(10)17(16)21-22-18/h3-5,7-9H,6H2,1-2H3,(H2,20,21,22)
InChIKeyVANSKJQIXWHGEW-UHFFFAOYSA-N
MW325.34 g/mol
LogP3.88
Rot. Bonds4

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

N-(3,5-dimethoxyphenyl)-6-fluoro-1,4-dihydroindeno[2,1-d]pyrazol-3-amine (PubChem CID 18445556) has the molecular formula C18H16FN3O2 and a molecular weight of 325.34 g/mol. Its IUPAC name is N-(3,5-dimethoxyphenyl)-6-fluoro-1,4-dihydroindeno[2,1-d]pyrazol-3-amine.

Molecular Properties

Compound NameN-(3,5-dimethoxyphenyl)-6-fluoro-1,4-dihydroindeno[2,1-d]pyrazol-3-amine
PubChem CID18445556
Molecular FormulaC18H16FN3O2
Molecular Weight325.34 g/mol
Exact Mass325.12
IUPAC NameN-(3,5-dimethoxyphenyl)-6-fluoro-1,4-dihydroindeno[2,1-d]pyrazol-3-amine
SMILESCOc1cc(Nc2n[nH]c3c2Cc2cc(F)ccc2-3)cc(OC)c1
InChIInChI=1S/C18H16FN3O2/c1-23-13-7-12(8-14(9-13)24-2)20-18-16-6-10-5-11(19)3-4-15(10)17(16)21-22-18/h3-5,7-9H,6H2,1-2H3,(H2,20,21,22)
InChIKeyVANSKJQIXWHGEW-UHFFFAOYSA-N
XLogP3.88
TPSA59.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.34
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethoxyphenyl)-6-fluoro-1,4-dihydroindeno[2,1-d]pyrazol-3-amine?
The IUPAC name of N-(3,5-dimethoxyphenyl)-6-fluoro-1,4-dihydroindeno[2,1-d]pyrazol-3-amine (CID 18445556) is N-(3,5-dimethoxyphenyl)-6-fluoro-1,4-dihydroindeno[2,1-d]pyrazol-3-amine.
What is the SMILES notation for N-(3,5-dimethoxyphenyl)-6-fluoro-1,4-dihydroindeno[2,1-d]pyrazol-3-amine?
The canonical SMILES for N-(3,5-dimethoxyphenyl)-6-fluoro-1,4-dihydroindeno[2,1-d]pyrazol-3-amine is COc1cc(Nc2n[nH]c3c2Cc2cc(F)ccc2-3)cc(OC)c1.
What is the InChIKey of N-(3,5-dimethoxyphenyl)-6-fluoro-1,4-dihydroindeno[2,1-d]pyrazol-3-amine?
The InChIKey is VANSKJQIXWHGEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O2/c1-23-13-7-12(8-14(9-13)24-2)20-18-16-6-10-5-11(19)3-4-15(10)17(16)21-22-18/h3-5,7-9H,6H2,1-2H3,(H2,20,21,22).
What are the key properties of N-(3,5-dimethoxyphenyl)-6-fluoro-1,4-dihydroindeno[2,1-d]pyrazol-3-amine?
N-(3,5-dimethoxyphenyl)-6-fluoro-1,4-dihydroindeno[2,1-d]pyrazol-3-amine has a molecular weight of 325.34 g/mol, XLogP of 3.88, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethoxyphenyl)-6-fluoro-1,4-dihydroindeno[2,1-d]pyrazol-3-amine is sourced from PubChem (CID 18445556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).