1-methyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-5-oxopyrrolidine-3-carboxamide

C14H20N4O2 — CID 110225755

IUPAC1-methyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-5-oxopyrrolidine-3-carboxamide
SMILESCN1CC(C(=O)NC2CCCc3c2cnn3C)CC1=O
InChIInChI=1S/C14H20N4O2/c1-17-8-9(6-13(17)19)14(20)16-11-4-3-5-12-10(11)7-15-18(12)2/h7,9,11H,3-6,8H2,1-2H3,(H,16,20)
InChIKeyAOYYPXHGNWWWNR-UHFFFAOYSA-N
MW276.34 g/mol
LogP0.39
Rot. Bonds2

About 1-methyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-5-oxopyrrolidine-3-carboxamide

1-methyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 110225755) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is 1-methyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-methyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-5-oxopyrrolidine-3-carboxamide
PubChem CID110225755
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC Name1-methyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-5-oxopyrrolidine-3-carboxamide
SMILESCN1CC(C(=O)NC2CCCc3c2cnn3C)CC1=O
InChIInChI=1S/C14H20N4O2/c1-17-8-9(6-13(17)19)14(20)16-11-4-3-5-12-10(11)7-15-18(12)2/h7,9,11H,3-6,8H2,1-2H3,(H,16,20)
InChIKeyAOYYPXHGNWWWNR-UHFFFAOYSA-N
XLogP0.39
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)cyclopropanecarboxamide
CID 42958313
N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-5-oxopyrrolidine-3-carboxamide
CID 78983146
(3R)-N-[(4S)-1-(4-methoxyphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 51494514
N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-5-oxopyrrolidine-2-carboxamide
CID 110471734
1-(2-methoxy-5-methylphenyl)-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-5-oxopyrrolidine-3-carboxamide
CID 55602158
2-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)carbamoyl]cyclobutane-1-carboxylic acid
CID 120975163
1-(2,2-dimethylpropanoyl)-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)piperidine-3-carboxamide
CID 47998684
2-amino-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)cyclohexane-1-carboxamide
CID 64823360
(E)-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)but-2-enamide
CID 110470220
1-amino-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)cyclopropane-1-carboxamide
CID 65464227
(2R)-2-amino-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)propanamide;hydrochloride
CID 119293132
N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)pyridine-2-carboxamide
CID 47027925

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-methyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-5-oxopyrrolidine-3-carboxamide (CID 110225755) is 1-methyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-methyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-methyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-5-oxopyrrolidine-3-carboxamide is CN1CC(C(=O)NC2CCCc3c2cnn3C)CC1=O.
What is the InChIKey of 1-methyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is AOYYPXHGNWWWNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2/c1-17-8-9(6-13(17)19)14(20)16-11-4-3-5-12-10(11)7-15-18(12)2/h7,9,11H,3-6,8H2,1-2H3,(H,16,20).
What are the key properties of 1-methyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-5-oxopyrrolidine-3-carboxamide?
1-methyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 276.34 g/mol, XLogP of 0.39, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 110225755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).