2-[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-N-(furan-2-ylmethyl)-N-methylacetamide

C18H26N4O2 — CID 56781093

IUPAC2-[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-N-(furan-2-ylmethyl)-N-methylacetamide
SMILESCc1cc(C)n(CC2CCCN2CC(=O)N(C)Cc2ccco2)n1
InChIInChI=1S/C18H26N4O2/c1-14-10-15(2)22(19-14)11-16-6-4-8-21(16)13-18(23)20(3)12-17-7-5-9-24-17/h5,7,9-10,16H,4,6,8,11-13H2,1-3H3
InChIKeyIRDCBQMJKXYCSI-UHFFFAOYSA-N
MW330.43 g/mol
LogP2.22
Rot. Bonds6

About 2-[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-N-(furan-2-ylmethyl)-N-methylacetamide

2-[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-N-(furan-2-ylmethyl)-N-methylacetamide (PubChem CID 56781093) has the molecular formula C18H26N4O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is 2-[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-N-(furan-2-ylmethyl)-N-methylacetamide.

Molecular Properties

Compound Name2-[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-N-(furan-2-ylmethyl)-N-methylacetamide
PubChem CID56781093
Molecular FormulaC18H26N4O2
Molecular Weight330.43 g/mol
Exact Mass330.21
IUPAC Name2-[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-N-(furan-2-ylmethyl)-N-methylacetamide
SMILESCc1cc(C)n(CC2CCCN2CC(=O)N(C)Cc2ccco2)n1
InChIInChI=1S/C18H26N4O2/c1-14-10-15(2)22(19-14)11-16-6-4-8-21(16)13-18(23)20(3)12-17-7-5-9-24-17/h5,7,9-10,16H,4,6,8,11-13H2,1-3H3
InChIKeyIRDCBQMJKXYCSI-UHFFFAOYSA-N
XLogP2.22
TPSA54.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-N-(furan-2-ylmethyl)-N-methylacetamide?
The IUPAC name of 2-[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-N-(furan-2-ylmethyl)-N-methylacetamide (CID 56781093) is 2-[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-N-(furan-2-ylmethyl)-N-methylacetamide.
What is the SMILES notation for 2-[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-N-(furan-2-ylmethyl)-N-methylacetamide?
The canonical SMILES for 2-[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-N-(furan-2-ylmethyl)-N-methylacetamide is Cc1cc(C)n(CC2CCCN2CC(=O)N(C)Cc2ccco2)n1.
What is the InChIKey of 2-[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-N-(furan-2-ylmethyl)-N-methylacetamide?
The InChIKey is IRDCBQMJKXYCSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O2/c1-14-10-15(2)22(19-14)11-16-6-4-8-21(16)13-18(23)20(3)12-17-7-5-9-24-17/h5,7,9-10,16H,4,6,8,11-13H2,1-3H3.
What are the key properties of 2-[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-N-(furan-2-ylmethyl)-N-methylacetamide?
2-[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-N-(furan-2-ylmethyl)-N-methylacetamide has a molecular weight of 330.43 g/mol, XLogP of 2.22, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-N-(furan-2-ylmethyl)-N-methylacetamide is sourced from PubChem (CID 56781093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).