7-fluoro-3-methyl-N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-1-benzofuran-2-carboxamide

C22H18FN3O2 — CID 30007519

IUPAC7-fluoro-3-methyl-N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)Nc2c3c(nn2-c2ccccc2)CCC3)oc2c(F)cccc12
InChIInChI=1S/C22H18FN3O2/c1-13-15-9-5-11-17(23)20(15)28-19(13)22(27)24-21-16-10-6-12-18(16)25-26(21)14-7-3-2-4-8-14/h2-5,7-9,11H,6,10,12H2,1H3,(H,24,27)
InChIKeyDVUFLQLVZLECAA-UHFFFAOYSA-N
MW375.40 g/mol
LogP4.81
Rot. Bonds3

About 7-fluoro-3-methyl-N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-1-benzofuran-2-carboxamide

7-fluoro-3-methyl-N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-1-benzofuran-2-carboxamide (PubChem CID 30007519) has the molecular formula C22H18FN3O2 and a molecular weight of 375.40 g/mol. Its IUPAC name is 7-fluoro-3-methyl-N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name7-fluoro-3-methyl-N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-1-benzofuran-2-carboxamide
PubChem CID30007519
Molecular FormulaC22H18FN3O2
Molecular Weight375.40 g/mol
Exact Mass375.14
IUPAC Name7-fluoro-3-methyl-N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)Nc2c3c(nn2-c2ccccc2)CCC3)oc2c(F)cccc12
InChIInChI=1S/C22H18FN3O2/c1-13-15-9-5-11-17(23)20(15)28-19(13)22(27)24-21-16-10-6-12-18(16)25-26(21)14-7-3-2-4-8-14/h2-5,7-9,11H,6,10,12H2,1H3,(H,24,27)
InChIKeyDVUFLQLVZLECAA-UHFFFAOYSA-N
XLogP4.81
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.40
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-3-methyl-N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-1-benzofuran-2-carboxamide?
The IUPAC name of 7-fluoro-3-methyl-N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-1-benzofuran-2-carboxamide (CID 30007519) is 7-fluoro-3-methyl-N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for 7-fluoro-3-methyl-N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-1-benzofuran-2-carboxamide?
The canonical SMILES for 7-fluoro-3-methyl-N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-1-benzofuran-2-carboxamide is Cc1c(C(=O)Nc2c3c(nn2-c2ccccc2)CCC3)oc2c(F)cccc12.
What is the InChIKey of 7-fluoro-3-methyl-N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-1-benzofuran-2-carboxamide?
The InChIKey is DVUFLQLVZLECAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FN3O2/c1-13-15-9-5-11-17(23)20(15)28-19(13)22(27)24-21-16-10-6-12-18(16)25-26(21)14-7-3-2-4-8-14/h2-5,7-9,11H,6,10,12H2,1H3,(H,24,27).
What are the key properties of 7-fluoro-3-methyl-N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-1-benzofuran-2-carboxamide?
7-fluoro-3-methyl-N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-1-benzofuran-2-carboxamide has a molecular weight of 375.40 g/mol, XLogP of 4.81, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-3-methyl-N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 30007519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).