1-[3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-indazol-5-yl]pyrrolidin-2-one

C22H21N5O — CID 118959907

IUPAC1-[3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-indazol-5-yl]pyrrolidin-2-one
SMILESCn1cc(-c2ccc(Cc3[nH]nc4ccc(N5CCCC5=O)cc34)cc2)cn1
InChIInChI=1S/C22H21N5O/c1-26-14-17(13-23-26)16-6-4-15(5-7-16)11-21-19-12-18(8-9-20(19)24-25-21)27-10-2-3-22(27)28/h4-9,12-14H,2-3,10-11H2,1H3,(H,24,25)
InChIKeyDALLTCCRBXGGIY-UHFFFAOYSA-N
MW371.44 g/mol
LogP3.68
Rot. Bonds4

About 1-[3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-indazol-5-yl]pyrrolidin-2-one

1-[3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-indazol-5-yl]pyrrolidin-2-one (PubChem CID 118959907) has the molecular formula C22H21N5O and a molecular weight of 371.44 g/mol. Its IUPAC name is 1-[3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-indazol-5-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-indazol-5-yl]pyrrolidin-2-one
PubChem CID118959907
Molecular FormulaC22H21N5O
Molecular Weight371.44 g/mol
Exact Mass371.17
IUPAC Name1-[3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-indazol-5-yl]pyrrolidin-2-one
SMILESCn1cc(-c2ccc(Cc3[nH]nc4ccc(N5CCCC5=O)cc34)cc2)cn1
InChIInChI=1S/C22H21N5O/c1-26-14-17(13-23-26)16-6-4-15(5-7-16)11-21-19-12-18(8-9-20(19)24-25-21)27-10-2-3-22(27)28/h4-9,12-14H,2-3,10-11H2,1H3,(H,24,25)
InChIKeyDALLTCCRBXGGIY-UHFFFAOYSA-N
XLogP3.68
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-indazol-5-yl]pyrrolidin-2-one?
The IUPAC name of 1-[3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-indazol-5-yl]pyrrolidin-2-one (CID 118959907) is 1-[3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-indazol-5-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-[3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-indazol-5-yl]pyrrolidin-2-one?
The canonical SMILES for 1-[3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-indazol-5-yl]pyrrolidin-2-one is Cn1cc(-c2ccc(Cc3[nH]nc4ccc(N5CCCC5=O)cc34)cc2)cn1.
What is the InChIKey of 1-[3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-indazol-5-yl]pyrrolidin-2-one?
The InChIKey is DALLTCCRBXGGIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O/c1-26-14-17(13-23-26)16-6-4-15(5-7-16)11-21-19-12-18(8-9-20(19)24-25-21)27-10-2-3-22(27)28/h4-9,12-14H,2-3,10-11H2,1H3,(H,24,25).
What are the key properties of 1-[3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-indazol-5-yl]pyrrolidin-2-one?
1-[3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-indazol-5-yl]pyrrolidin-2-one has a molecular weight of 371.44 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-indazol-5-yl]pyrrolidin-2-one is sourced from PubChem (CID 118959907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).