N-[(2R,3R)-1-methyl-2-(2-methylpyrazol-3-yl)-5-oxopyrrolidin-3-yl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide

C17H22N6O2 — CID 128989099

IUPACN-[(2R,3R)-1-methyl-2-(2-methylpyrazol-3-yl)-5-oxopyrrolidin-3-yl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
SMILESCN1C(=O)C[C@@H](NC(=O)c2n[nH]c3c2CCCC3)[C@@H]1c1ccnn1C
InChIInChI=1S/C17H22N6O2/c1-22-14(24)9-12(16(22)13-7-8-18-23(13)2)19-17(25)15-10-5-3-4-6-11(10)20-21-15/h7-8,12,16H,3-6,9H2,1-2H3,(H,19,25)(H,20,21)/t12-,16-/m1/s1
InChIKeyZYXOESYZTWNUCA-MLGOLLRUSA-N
MW342.40 g/mol
LogP0.72
Rot. Bonds3

About N-[(2R,3R)-1-methyl-2-(2-methylpyrazol-3-yl)-5-oxopyrrolidin-3-yl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide

N-[(2R,3R)-1-methyl-2-(2-methylpyrazol-3-yl)-5-oxopyrrolidin-3-yl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide (PubChem CID 128989099) has the molecular formula C17H22N6O2 and a molecular weight of 342.40 g/mol. Its IUPAC name is N-[(2R,3R)-1-methyl-2-(2-methylpyrazol-3-yl)-5-oxopyrrolidin-3-yl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[(2R,3R)-1-methyl-2-(2-methylpyrazol-3-yl)-5-oxopyrrolidin-3-yl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
PubChem CID128989099
Molecular FormulaC17H22N6O2
Molecular Weight342.40 g/mol
Exact Mass342.18
IUPAC NameN-[(2R,3R)-1-methyl-2-(2-methylpyrazol-3-yl)-5-oxopyrrolidin-3-yl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
SMILESCN1C(=O)C[C@@H](NC(=O)c2n[nH]c3c2CCCC3)[C@@H]1c1ccnn1C
InChIInChI=1S/C17H22N6O2/c1-22-14(24)9-12(16(22)13-7-8-18-23(13)2)19-17(25)15-10-5-3-4-6-11(10)20-21-15/h7-8,12,16H,3-6,9H2,1-2H3,(H,19,25)(H,20,21)/t12-,16-/m1/s1
InChIKeyZYXOESYZTWNUCA-MLGOLLRUSA-N
XLogP0.72
TPSA95.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2R,3R)-1-methyl-2-(2-methylpyrazol-3-yl)-5-oxopyrrolidin-3-yl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
The IUPAC name of N-[(2R,3R)-1-methyl-2-(2-methylpyrazol-3-yl)-5-oxopyrrolidin-3-yl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide (CID 128989099) is N-[(2R,3R)-1-methyl-2-(2-methylpyrazol-3-yl)-5-oxopyrrolidin-3-yl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[(2R,3R)-1-methyl-2-(2-methylpyrazol-3-yl)-5-oxopyrrolidin-3-yl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
The canonical SMILES for N-[(2R,3R)-1-methyl-2-(2-methylpyrazol-3-yl)-5-oxopyrrolidin-3-yl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide is CN1C(=O)C[C@@H](NC(=O)c2n[nH]c3c2CCCC3)[C@@H]1c1ccnn1C.
What is the InChIKey of N-[(2R,3R)-1-methyl-2-(2-methylpyrazol-3-yl)-5-oxopyrrolidin-3-yl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
The InChIKey is ZYXOESYZTWNUCA-MLGOLLRUSA-N. The full InChI is InChI=1S/C17H22N6O2/c1-22-14(24)9-12(16(22)13-7-8-18-23(13)2)19-17(25)15-10-5-3-4-6-11(10)20-21-15/h7-8,12,16H,3-6,9H2,1-2H3,(H,19,25)(H,20,21)/t12-,16-/m1/s1.
What are the key properties of N-[(2R,3R)-1-methyl-2-(2-methylpyrazol-3-yl)-5-oxopyrrolidin-3-yl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
N-[(2R,3R)-1-methyl-2-(2-methylpyrazol-3-yl)-5-oxopyrrolidin-3-yl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide has a molecular weight of 342.40 g/mol, XLogP of 0.72, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,3R)-1-methyl-2-(2-methylpyrazol-3-yl)-5-oxopyrrolidin-3-yl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide is sourced from PubChem (CID 128989099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).