2-[3-(3-fluoroanilino)-6,7-dimethoxy-1H-indeno[1,2-c]pyrazol-2-yl]ethanol

C20H20FN3O3 — CID 91580961

IUPAC2-[3-(3-fluoroanilino)-6,7-dimethoxy-1H-indeno[1,2-c]pyrazol-2-yl]ethanol
SMILESCOc1cc2cc3c(Nc4cccc(F)c4)n(CCO)[nH]c-3c2cc1OC
InChIInChI=1S/C20H20FN3O3/c1-26-17-9-12-8-16-19(15(12)11-18(17)27-2)23-24(6-7-25)20(16)22-14-5-3-4-13(21)10-14/h3-5,8-11,22-23,25H,6-7H2,1-2H3
InChIKeyNQNNEEZFLNBEIJ-UHFFFAOYSA-N
MW369.40 g/mol
LogP3.97
Rot. Bonds6

About 2-[3-(3-fluoroanilino)-6,7-dimethoxy-1H-indeno[1,2-c]pyrazol-2-yl]ethanol

2-[3-(3-fluoroanilino)-6,7-dimethoxy-1H-indeno[1,2-c]pyrazol-2-yl]ethanol (PubChem CID 91580961) has the molecular formula C20H20FN3O3 and a molecular weight of 369.40 g/mol. Its IUPAC name is 2-[3-(3-fluoroanilino)-6,7-dimethoxy-1H-indeno[1,2-c]pyrazol-2-yl]ethanol.

Molecular Properties

Compound Name2-[3-(3-fluoroanilino)-6,7-dimethoxy-1H-indeno[1,2-c]pyrazol-2-yl]ethanol
PubChem CID91580961
Molecular FormulaC20H20FN3O3
Molecular Weight369.40 g/mol
Exact Mass369.15
IUPAC Name2-[3-(3-fluoroanilino)-6,7-dimethoxy-1H-indeno[1,2-c]pyrazol-2-yl]ethanol
SMILESCOc1cc2cc3c(Nc4cccc(F)c4)n(CCO)[nH]c-3c2cc1OC
InChIInChI=1S/C20H20FN3O3/c1-26-17-9-12-8-16-19(15(12)11-18(17)27-2)23-24(6-7-25)20(16)22-14-5-3-4-13(21)10-14/h3-5,8-11,22-23,25H,6-7H2,1-2H3
InChIKeyNQNNEEZFLNBEIJ-UHFFFAOYSA-N
XLogP3.97
TPSA71.44 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.40
LogP ≤ 53.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-fluoroanilino)-6,7-dimethoxy-1H-indeno[1,2-c]pyrazol-2-yl]ethanol?
The IUPAC name of 2-[3-(3-fluoroanilino)-6,7-dimethoxy-1H-indeno[1,2-c]pyrazol-2-yl]ethanol (CID 91580961) is 2-[3-(3-fluoroanilino)-6,7-dimethoxy-1H-indeno[1,2-c]pyrazol-2-yl]ethanol.
What is the SMILES notation for 2-[3-(3-fluoroanilino)-6,7-dimethoxy-1H-indeno[1,2-c]pyrazol-2-yl]ethanol?
The canonical SMILES for 2-[3-(3-fluoroanilino)-6,7-dimethoxy-1H-indeno[1,2-c]pyrazol-2-yl]ethanol is COc1cc2cc3c(Nc4cccc(F)c4)n(CCO)[nH]c-3c2cc1OC.
What is the InChIKey of 2-[3-(3-fluoroanilino)-6,7-dimethoxy-1H-indeno[1,2-c]pyrazol-2-yl]ethanol?
The InChIKey is NQNNEEZFLNBEIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O3/c1-26-17-9-12-8-16-19(15(12)11-18(17)27-2)23-24(6-7-25)20(16)22-14-5-3-4-13(21)10-14/h3-5,8-11,22-23,25H,6-7H2,1-2H3.
What are the key properties of 2-[3-(3-fluoroanilino)-6,7-dimethoxy-1H-indeno[1,2-c]pyrazol-2-yl]ethanol?
2-[3-(3-fluoroanilino)-6,7-dimethoxy-1H-indeno[1,2-c]pyrazol-2-yl]ethanol has a molecular weight of 369.40 g/mol, XLogP of 3.97, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-fluoroanilino)-6,7-dimethoxy-1H-indeno[1,2-c]pyrazol-2-yl]ethanol is sourced from PubChem (CID 91580961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).