N-(1-benzylpyrazol-4-yl)-1'-methyl-2'-oxospiro[1,4,5,7-tetrahydroindazole-6,3'-pyrrolidine]-3-carboxamide

C22H24N6O2 — CID 90036634

IUPACN-(1-benzylpyrazol-4-yl)-1'-methyl-2'-oxospiro[1,4,5,7-tetrahydroindazole-6,3'-pyrrolidine]-3-carboxamide
SMILESCN1CCC2(CCc3c(C(=O)Nc4cnn(Cc5ccccc5)c4)n[nH]c3C2)C1=O
InChIInChI=1S/C22H24N6O2/c1-27-10-9-22(21(27)30)8-7-17-18(11-22)25-26-19(17)20(29)24-16-12-23-28(14-16)13-15-5-3-2-4-6-15/h2-6,12,14H,7-11,13H2,1H3,(H,24,29)(H,25,26)
InChIKeyOHGAJAWPYZELNO-UHFFFAOYSA-N
MW404.47 g/mol
LogP2.24
Rot. Bonds4

About N-(1-benzylpyrazol-4-yl)-1'-methyl-2'-oxospiro[1,4,5,7-tetrahydroindazole-6,3'-pyrrolidine]-3-carboxamide

N-(1-benzylpyrazol-4-yl)-1'-methyl-2'-oxospiro[1,4,5,7-tetrahydroindazole-6,3'-pyrrolidine]-3-carboxamide (PubChem CID 90036634) has the molecular formula C22H24N6O2 and a molecular weight of 404.47 g/mol. Its IUPAC name is N-(1-benzylpyrazol-4-yl)-1'-methyl-2'-oxospiro[1,4,5,7-tetrahydroindazole-6,3'-pyrrolidine]-3-carboxamide.

Molecular Properties

Compound NameN-(1-benzylpyrazol-4-yl)-1'-methyl-2'-oxospiro[1,4,5,7-tetrahydroindazole-6,3'-pyrrolidine]-3-carboxamide
PubChem CID90036634
Molecular FormulaC22H24N6O2
Molecular Weight404.47 g/mol
Exact Mass404.20
IUPAC NameN-(1-benzylpyrazol-4-yl)-1'-methyl-2'-oxospiro[1,4,5,7-tetrahydroindazole-6,3'-pyrrolidine]-3-carboxamide
SMILESCN1CCC2(CCc3c(C(=O)Nc4cnn(Cc5ccccc5)c4)n[nH]c3C2)C1=O
InChIInChI=1S/C22H24N6O2/c1-27-10-9-22(21(27)30)8-7-17-18(11-22)25-26-19(17)20(29)24-16-12-23-28(14-16)13-15-5-3-2-4-6-15/h2-6,12,14H,7-11,13H2,1H3,(H,24,29)(H,25,26)
InChIKeyOHGAJAWPYZELNO-UHFFFAOYSA-N
XLogP2.24
TPSA95.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpyrazol-4-yl)-1'-methyl-2'-oxospiro[1,4,5,7-tetrahydroindazole-6,3'-pyrrolidine]-3-carboxamide?
The IUPAC name of N-(1-benzylpyrazol-4-yl)-1'-methyl-2'-oxospiro[1,4,5,7-tetrahydroindazole-6,3'-pyrrolidine]-3-carboxamide (CID 90036634) is N-(1-benzylpyrazol-4-yl)-1'-methyl-2'-oxospiro[1,4,5,7-tetrahydroindazole-6,3'-pyrrolidine]-3-carboxamide.
What is the SMILES notation for N-(1-benzylpyrazol-4-yl)-1'-methyl-2'-oxospiro[1,4,5,7-tetrahydroindazole-6,3'-pyrrolidine]-3-carboxamide?
The canonical SMILES for N-(1-benzylpyrazol-4-yl)-1'-methyl-2'-oxospiro[1,4,5,7-tetrahydroindazole-6,3'-pyrrolidine]-3-carboxamide is CN1CCC2(CCc3c(C(=O)Nc4cnn(Cc5ccccc5)c4)n[nH]c3C2)C1=O.
What is the InChIKey of N-(1-benzylpyrazol-4-yl)-1'-methyl-2'-oxospiro[1,4,5,7-tetrahydroindazole-6,3'-pyrrolidine]-3-carboxamide?
The InChIKey is OHGAJAWPYZELNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O2/c1-27-10-9-22(21(27)30)8-7-17-18(11-22)25-26-19(17)20(29)24-16-12-23-28(14-16)13-15-5-3-2-4-6-15/h2-6,12,14H,7-11,13H2,1H3,(H,24,29)(H,25,26).
What are the key properties of N-(1-benzylpyrazol-4-yl)-1'-methyl-2'-oxospiro[1,4,5,7-tetrahydroindazole-6,3'-pyrrolidine]-3-carboxamide?
N-(1-benzylpyrazol-4-yl)-1'-methyl-2'-oxospiro[1,4,5,7-tetrahydroindazole-6,3'-pyrrolidine]-3-carboxamide has a molecular weight of 404.47 g/mol, XLogP of 2.24, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpyrazol-4-yl)-1'-methyl-2'-oxospiro[1,4,5,7-tetrahydroindazole-6,3'-pyrrolidine]-3-carboxamide is sourced from PubChem (CID 90036634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).