[5-(diethylaminomethyl)furan-2-yl]-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone

C18H26N4O2 — CID 56824944

IUPAC[5-(diethylaminomethyl)furan-2-yl]-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone
SMILESCCN(CC)Cc1ccc(C(=O)N2CCCC2c2cnn(C)c2)o1
InChIInChI=1S/C18H26N4O2/c1-4-21(5-2)13-15-8-9-17(24-15)18(23)22-10-6-7-16(22)14-11-19-20(3)12-14/h8-9,11-12,16H,4-7,10,13H2,1-3H3
InChIKeySWSFCJNGSDNOPN-UHFFFAOYSA-N
MW330.43 g/mol
LogP2.83
Rot. Bonds6

About [5-(diethylaminomethyl)furan-2-yl]-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone

[5-(diethylaminomethyl)furan-2-yl]-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone (PubChem CID 56824944) has the molecular formula C18H26N4O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is [5-(diethylaminomethyl)furan-2-yl]-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[5-(diethylaminomethyl)furan-2-yl]-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone
PubChem CID56824944
Molecular FormulaC18H26N4O2
Molecular Weight330.43 g/mol
Exact Mass330.21
IUPAC Name[5-(diethylaminomethyl)furan-2-yl]-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone
SMILESCCN(CC)Cc1ccc(C(=O)N2CCCC2c2cnn(C)c2)o1
InChIInChI=1S/C18H26N4O2/c1-4-21(5-2)13-15-8-9-17(24-15)18(23)22-10-6-7-16(22)14-11-19-20(3)12-14/h8-9,11-12,16H,4-7,10,13H2,1-3H3
InChIKeySWSFCJNGSDNOPN-UHFFFAOYSA-N
XLogP2.83
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 ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-(diethylaminomethyl)furan-2-yl]-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of [5-(diethylaminomethyl)furan-2-yl]-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone (CID 56824944) is [5-(diethylaminomethyl)furan-2-yl]-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for [5-(diethylaminomethyl)furan-2-yl]-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for [5-(diethylaminomethyl)furan-2-yl]-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone is CCN(CC)Cc1ccc(C(=O)N2CCCC2c2cnn(C)c2)o1.
What is the InChIKey of [5-(diethylaminomethyl)furan-2-yl]-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone?
The InChIKey is SWSFCJNGSDNOPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O2/c1-4-21(5-2)13-15-8-9-17(24-15)18(23)22-10-6-7-16(22)14-11-19-20(3)12-14/h8-9,11-12,16H,4-7,10,13H2,1-3H3.
What are the key properties of [5-(diethylaminomethyl)furan-2-yl]-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone?
[5-(diethylaminomethyl)furan-2-yl]-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone has a molecular weight of 330.43 g/mol, XLogP of 2.83, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(diethylaminomethyl)furan-2-yl]-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 56824944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).