methyl 1-(4-fluorophenyl)-6,7-dimethoxy-4H-indeno[2,1-d]pyrazole-3-carboxylate

C20H17FN2O4 — CID 45494711

IUPACmethyl 1-(4-fluorophenyl)-6,7-dimethoxy-4H-indeno[2,1-d]pyrazole-3-carboxylate
SMILESCOC(=O)c1nn(-c2ccc(F)cc2)c2c1Cc1cc(OC)c(OC)cc1-2
InChIInChI=1S/C20H17FN2O4/c1-25-16-9-11-8-15-18(20(24)27-3)22-23(13-6-4-12(21)5-7-13)19(15)14(11)10-17(16)26-2/h4-7,9-10H,8H2,1-3H3
InChIKeyHIRJOYBEWKLBGG-UHFFFAOYSA-N
MW368.36 g/mol
LogP3.39
Rot. Bonds4

About methyl 1-(4-fluorophenyl)-6,7-dimethoxy-4H-indeno[2,1-d]pyrazole-3-carboxylate

methyl 1-(4-fluorophenyl)-6,7-dimethoxy-4H-indeno[2,1-d]pyrazole-3-carboxylate (PubChem CID 45494711) has the molecular formula C20H17FN2O4 and a molecular weight of 368.36 g/mol. Its IUPAC name is methyl 1-(4-fluorophenyl)-6,7-dimethoxy-4H-indeno[2,1-d]pyrazole-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-(4-fluorophenyl)-6,7-dimethoxy-4H-indeno[2,1-d]pyrazole-3-carboxylate
PubChem CID45494711
Molecular FormulaC20H17FN2O4
Molecular Weight368.36 g/mol
Exact Mass368.12
IUPAC Namemethyl 1-(4-fluorophenyl)-6,7-dimethoxy-4H-indeno[2,1-d]pyrazole-3-carboxylate
SMILESCOC(=O)c1nn(-c2ccc(F)cc2)c2c1Cc1cc(OC)c(OC)cc1-2
InChIInChI=1S/C20H17FN2O4/c1-25-16-9-11-8-15-18(20(24)27-3)22-23(13-6-4-12(21)5-7-13)19(15)14(11)10-17(16)26-2/h4-7,9-10H,8H2,1-3H3
InChIKeyHIRJOYBEWKLBGG-UHFFFAOYSA-N
XLogP3.39
TPSA62.58 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.36
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 1-(4-fluorophenyl)-6,7-dimethoxy-4H-indeno[2,1-d]pyrazole-3-carboxylate?
The IUPAC name of methyl 1-(4-fluorophenyl)-6,7-dimethoxy-4H-indeno[2,1-d]pyrazole-3-carboxylate (CID 45494711) is methyl 1-(4-fluorophenyl)-6,7-dimethoxy-4H-indeno[2,1-d]pyrazole-3-carboxylate.
What is the SMILES notation for methyl 1-(4-fluorophenyl)-6,7-dimethoxy-4H-indeno[2,1-d]pyrazole-3-carboxylate?
The canonical SMILES for methyl 1-(4-fluorophenyl)-6,7-dimethoxy-4H-indeno[2,1-d]pyrazole-3-carboxylate is COC(=O)c1nn(-c2ccc(F)cc2)c2c1Cc1cc(OC)c(OC)cc1-2.
What is the InChIKey of methyl 1-(4-fluorophenyl)-6,7-dimethoxy-4H-indeno[2,1-d]pyrazole-3-carboxylate?
The InChIKey is HIRJOYBEWKLBGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN2O4/c1-25-16-9-11-8-15-18(20(24)27-3)22-23(13-6-4-12(21)5-7-13)19(15)14(11)10-17(16)26-2/h4-7,9-10H,8H2,1-3H3.
What are the key properties of methyl 1-(4-fluorophenyl)-6,7-dimethoxy-4H-indeno[2,1-d]pyrazole-3-carboxylate?
methyl 1-(4-fluorophenyl)-6,7-dimethoxy-4H-indeno[2,1-d]pyrazole-3-carboxylate has a molecular weight of 368.36 g/mol, XLogP of 3.39, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(4-fluorophenyl)-6,7-dimethoxy-4H-indeno[2,1-d]pyrazole-3-carboxylate is sourced from PubChem (CID 45494711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).