1-(2-methoxyethyl)-N-methyl-5-oxo-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)pyrrolidine-3-carboxamide

C17H26N4O3 — CID 45217961

IUPAC1-(2-methoxyethyl)-N-methyl-5-oxo-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)pyrrolidine-3-carboxamide
SMILESCOCCN1CC(C(=O)N(C)Cc2n[nH]c3c2CCCC3)CC1=O
InChIInChI=1S/C17H26N4O3/c1-20(11-15-13-5-3-4-6-14(13)18-19-15)17(23)12-9-16(22)21(10-12)7-8-24-2/h12H,3-11H2,1-2H3,(H,18,19)
InChIKeyMRIXLAZELZNWTB-UHFFFAOYSA-N
MW334.42 g/mol
LogP0.74
Rot. Bonds6

About 1-(2-methoxyethyl)-N-methyl-5-oxo-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)pyrrolidine-3-carboxamide

1-(2-methoxyethyl)-N-methyl-5-oxo-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)pyrrolidine-3-carboxamide (PubChem CID 45217961) has the molecular formula C17H26N4O3 and a molecular weight of 334.42 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-N-methyl-5-oxo-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(2-methoxyethyl)-N-methyl-5-oxo-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)pyrrolidine-3-carboxamide
PubChem CID45217961
Molecular FormulaC17H26N4O3
Molecular Weight334.42 g/mol
Exact Mass334.20
IUPAC Name1-(2-methoxyethyl)-N-methyl-5-oxo-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)pyrrolidine-3-carboxamide
SMILESCOCCN1CC(C(=O)N(C)Cc2n[nH]c3c2CCCC3)CC1=O
InChIInChI=1S/C17H26N4O3/c1-20(11-15-13-5-3-4-6-14(13)18-19-15)17(23)12-9-16(22)21(10-12)7-8-24-2/h12H,3-11H2,1-2H3,(H,18,19)
InChIKeyMRIXLAZELZNWTB-UHFFFAOYSA-N
XLogP0.74
TPSA78.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-N-methyl-5-oxo-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)pyrrolidine-3-carboxamide?
The IUPAC name of 1-(2-methoxyethyl)-N-methyl-5-oxo-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)pyrrolidine-3-carboxamide (CID 45217961) is 1-(2-methoxyethyl)-N-methyl-5-oxo-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(2-methoxyethyl)-N-methyl-5-oxo-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for 1-(2-methoxyethyl)-N-methyl-5-oxo-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)pyrrolidine-3-carboxamide is COCCN1CC(C(=O)N(C)Cc2n[nH]c3c2CCCC3)CC1=O.
What is the InChIKey of 1-(2-methoxyethyl)-N-methyl-5-oxo-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)pyrrolidine-3-carboxamide?
The InChIKey is MRIXLAZELZNWTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O3/c1-20(11-15-13-5-3-4-6-14(13)18-19-15)17(23)12-9-16(22)21(10-12)7-8-24-2/h12H,3-11H2,1-2H3,(H,18,19).
What are the key properties of 1-(2-methoxyethyl)-N-methyl-5-oxo-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)pyrrolidine-3-carboxamide?
1-(2-methoxyethyl)-N-methyl-5-oxo-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)pyrrolidine-3-carboxamide has a molecular weight of 334.42 g/mol, XLogP of 0.74, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-N-methyl-5-oxo-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 45217961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).