N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-5-oxopyrrolidine-2-carboxamide

C13H18N4O2 — CID 110471734

IUPACN-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-5-oxopyrrolidine-2-carboxamide
SMILESCn1ncc2c1CCCC2NC(=O)C1CCC(=O)N1
InChIInChI=1S/C13H18N4O2/c1-17-11-4-2-3-9(8(11)7-14-17)16-13(19)10-5-6-12(18)15-10/h7,9-10H,2-6H2,1H3,(H,15,18)(H,16,19)
InChIKeyUIADMKREVOJYEC-UHFFFAOYSA-N
MW262.31 g/mol
LogP0.19
Rot. Bonds2

About N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-5-oxopyrrolidine-2-carboxamide

N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-5-oxopyrrolidine-2-carboxamide (PubChem CID 110471734) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-5-oxopyrrolidine-2-carboxamide
PubChem CID110471734
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC NameN-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-5-oxopyrrolidine-2-carboxamide
SMILESCn1ncc2c1CCCC2NC(=O)C1CCC(=O)N1
InChIInChI=1S/C13H18N4O2/c1-17-11-4-2-3-9(8(11)7-14-17)16-13(19)10-5-6-12(18)15-10/h7,9-10H,2-6H2,1H3,(H,15,18)(H,16,19)
InChIKeyUIADMKREVOJYEC-UHFFFAOYSA-N
XLogP0.19
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-5-oxopyrrolidine-2-carboxamide (CID 110471734) is N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-5-oxopyrrolidine-2-carboxamide is Cn1ncc2c1CCCC2NC(=O)C1CCC(=O)N1.
What is the InChIKey of N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-5-oxopyrrolidine-2-carboxamide?
The InChIKey is UIADMKREVOJYEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2/c1-17-11-4-2-3-9(8(11)7-14-17)16-13(19)10-5-6-12(18)15-10/h7,9-10H,2-6H2,1H3,(H,15,18)(H,16,19).
What are the key properties of N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-5-oxopyrrolidine-2-carboxamide?
N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-5-oxopyrrolidine-2-carboxamide has a molecular weight of 262.31 g/mol, XLogP of 0.19, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 110471734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).