[3-(diethylamino)pyrrolidin-1-yl]-[1-ethyl-3-(2-methylpropyl)pyrazol-5-yl]methanone

C18H32N4O — CID 70762442

IUPAC[3-(diethylamino)pyrrolidin-1-yl]-[1-ethyl-3-(2-methylpropyl)pyrazol-5-yl]methanone
SMILESCCN(CC)C1CCN(C(=O)c2cc(CC(C)C)nn2CC)C1
InChIInChI=1S/C18H32N4O/c1-6-20(7-2)16-9-10-21(13-16)18(23)17-12-15(11-14(4)5)19-22(17)8-3/h12,14,16H,6-11,13H2,1-5H3
InChIKeyPVWMYPARQHYPHK-UHFFFAOYSA-N
MW320.48 g/mol
LogP2.66
Rot. Bonds7

About [3-(diethylamino)pyrrolidin-1-yl]-[1-ethyl-3-(2-methylpropyl)pyrazol-5-yl]methanone

[3-(diethylamino)pyrrolidin-1-yl]-[1-ethyl-3-(2-methylpropyl)pyrazol-5-yl]methanone (PubChem CID 70762442) has the molecular formula C18H32N4O and a molecular weight of 320.48 g/mol. Its IUPAC name is [3-(diethylamino)pyrrolidin-1-yl]-[1-ethyl-3-(2-methylpropyl)pyrazol-5-yl]methanone.

Molecular Properties

Compound Name[3-(diethylamino)pyrrolidin-1-yl]-[1-ethyl-3-(2-methylpropyl)pyrazol-5-yl]methanone
PubChem CID70762442
Molecular FormulaC18H32N4O
Molecular Weight320.48 g/mol
Exact Mass320.26
IUPAC Name[3-(diethylamino)pyrrolidin-1-yl]-[1-ethyl-3-(2-methylpropyl)pyrazol-5-yl]methanone
SMILESCCN(CC)C1CCN(C(=O)c2cc(CC(C)C)nn2CC)C1
InChIInChI=1S/C18H32N4O/c1-6-20(7-2)16-9-10-21(13-16)18(23)17-12-15(11-14(4)5)19-22(17)8-3/h12,14,16H,6-11,13H2,1-5H3
InChIKeyPVWMYPARQHYPHK-UHFFFAOYSA-N
XLogP2.66
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.48
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-(diethylamino)pyrrolidin-1-yl]-[1-ethyl-3-(2-methylpropyl)pyrazol-5-yl]methanone?
The IUPAC name of [3-(diethylamino)pyrrolidin-1-yl]-[1-ethyl-3-(2-methylpropyl)pyrazol-5-yl]methanone (CID 70762442) is [3-(diethylamino)pyrrolidin-1-yl]-[1-ethyl-3-(2-methylpropyl)pyrazol-5-yl]methanone.
What is the SMILES notation for [3-(diethylamino)pyrrolidin-1-yl]-[1-ethyl-3-(2-methylpropyl)pyrazol-5-yl]methanone?
The canonical SMILES for [3-(diethylamino)pyrrolidin-1-yl]-[1-ethyl-3-(2-methylpropyl)pyrazol-5-yl]methanone is CCN(CC)C1CCN(C(=O)c2cc(CC(C)C)nn2CC)C1.
What is the InChIKey of [3-(diethylamino)pyrrolidin-1-yl]-[1-ethyl-3-(2-methylpropyl)pyrazol-5-yl]methanone?
The InChIKey is PVWMYPARQHYPHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N4O/c1-6-20(7-2)16-9-10-21(13-16)18(23)17-12-15(11-14(4)5)19-22(17)8-3/h12,14,16H,6-11,13H2,1-5H3.
What are the key properties of [3-(diethylamino)pyrrolidin-1-yl]-[1-ethyl-3-(2-methylpropyl)pyrazol-5-yl]methanone?
[3-(diethylamino)pyrrolidin-1-yl]-[1-ethyl-3-(2-methylpropyl)pyrazol-5-yl]methanone has a molecular weight of 320.48 g/mol, XLogP of 2.66, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(diethylamino)pyrrolidin-1-yl]-[1-ethyl-3-(2-methylpropyl)pyrazol-5-yl]methanone is sourced from PubChem (CID 70762442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).