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

C17H28N4O2 — CID 50980632

IUPAC1-(2-methoxyethyl)-N-methyl-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)pyrrolidine-3-carboxamide
SMILESCOCCN1CCC(C(=O)N(C)Cc2n[nH]c3c2CCCC3)C1
InChIInChI=1S/C17H28N4O2/c1-20(12-16-14-5-3-4-6-15(14)18-19-16)17(22)13-7-8-21(11-13)9-10-23-2/h13H,3-12H2,1-2H3,(H,18,19)
InChIKeySPSUTFDIRPKQNO-UHFFFAOYSA-N
MW320.44 g/mol
LogP1.22
Rot. Bonds6

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

1-(2-methoxyethyl)-N-methyl-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)pyrrolidine-3-carboxamide (PubChem CID 50980632) has the molecular formula C17H28N4O2 and a molecular weight of 320.44 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-N-methyl-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(2-methoxyethyl)-N-methyl-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)pyrrolidine-3-carboxamide
PubChem CID50980632
Molecular FormulaC17H28N4O2
Molecular Weight320.44 g/mol
Exact Mass320.22
IUPAC Name1-(2-methoxyethyl)-N-methyl-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)pyrrolidine-3-carboxamide
SMILESCOCCN1CCC(C(=O)N(C)Cc2n[nH]c3c2CCCC3)C1
InChIInChI=1S/C17H28N4O2/c1-20(12-16-14-5-3-4-6-15(14)18-19-16)17(22)13-7-8-21(11-13)9-10-23-2/h13H,3-12H2,1-2H3,(H,18,19)
InChIKeySPSUTFDIRPKQNO-UHFFFAOYSA-N
XLogP1.22
TPSA61.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 51.22
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-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)pyrrolidine-3-carboxamide?
The IUPAC name of 1-(2-methoxyethyl)-N-methyl-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)pyrrolidine-3-carboxamide (CID 50980632) is 1-(2-methoxyethyl)-N-methyl-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(2-methoxyethyl)-N-methyl-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for 1-(2-methoxyethyl)-N-methyl-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)pyrrolidine-3-carboxamide is COCCN1CCC(C(=O)N(C)Cc2n[nH]c3c2CCCC3)C1.
What is the InChIKey of 1-(2-methoxyethyl)-N-methyl-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)pyrrolidine-3-carboxamide?
The InChIKey is SPSUTFDIRPKQNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O2/c1-20(12-16-14-5-3-4-6-15(14)18-19-16)17(22)13-7-8-21(11-13)9-10-23-2/h13H,3-12H2,1-2H3,(H,18,19).
What are the key properties of 1-(2-methoxyethyl)-N-methyl-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)pyrrolidine-3-carboxamide?
1-(2-methoxyethyl)-N-methyl-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)pyrrolidine-3-carboxamide has a molecular weight of 320.44 g/mol, XLogP of 1.22, 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-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 50980632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).