[3-(2-aminoethyl)pyrrolidin-1-yl]-(1,3-diethylpyrazol-5-yl)methanone

C14H24N4O — CID 114802193

IUPAC[3-(2-aminoethyl)pyrrolidin-1-yl]-(1,3-diethylpyrazol-5-yl)methanone
SMILESCCc1cc(C(=O)N2CCC(CCN)C2)n(CC)n1
InChIInChI=1S/C14H24N4O/c1-3-12-9-13(18(4-2)16-12)14(19)17-8-6-11(10-17)5-7-15/h9,11H,3-8,10,15H2,1-2H3
InChIKeyNEAOYZYKBYJDJH-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.28
Rot. Bonds5

About [3-(2-aminoethyl)pyrrolidin-1-yl]-(1,3-diethylpyrazol-5-yl)methanone

[3-(2-aminoethyl)pyrrolidin-1-yl]-(1,3-diethylpyrazol-5-yl)methanone (PubChem CID 114802193) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is [3-(2-aminoethyl)pyrrolidin-1-yl]-(1,3-diethylpyrazol-5-yl)methanone.

Molecular Properties

Compound Name[3-(2-aminoethyl)pyrrolidin-1-yl]-(1,3-diethylpyrazol-5-yl)methanone
PubChem CID114802193
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Name[3-(2-aminoethyl)pyrrolidin-1-yl]-(1,3-diethylpyrazol-5-yl)methanone
SMILESCCc1cc(C(=O)N2CCC(CCN)C2)n(CC)n1
InChIInChI=1S/C14H24N4O/c1-3-12-9-13(18(4-2)16-12)14(19)17-8-6-11(10-17)5-7-15/h9,11H,3-8,10,15H2,1-2H3
InChIKeyNEAOYZYKBYJDJH-UHFFFAOYSA-N
XLogP1.28
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-aminopiperidin-1-yl)-(1,3-diethylpyrazol-5-yl)methanone
CID 66121216
(1,3-diethylpyrazol-5-yl)-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 66122379
[3-(2-chloroethyl)pyrrolidin-1-yl]-(3-ethyl-1-methylpyrazol-5-yl)methanone
CID 114801021
(1,3-diethylpyrazol-5-yl)-(3,4-dihydroxypyrrolidin-1-yl)methanone
CID 106671135
(1,3-diethylpyrazol-5-yl)-[(3R)-3-methylpiperazin-1-yl]methanone
CID 81428724
azepan-1-yl-(1,3-diethylpyrazol-5-yl)methanone
CID 66120416
[2-(3-aminopropyl)pyrrolidin-1-yl]-(1,3-diethylpyrazol-5-yl)methanone
CID 66121036
[2-(aminomethyl)-4-ethylpiperidin-1-yl]-(1,3-diethylpyrazol-5-yl)methanone
CID 103352365
1-(1,3-diethylpyrazole-5-carbonyl)piperidin-4-one
CID 66121196
[2-(chloromethyl)morpholin-4-yl]-(1,3-diethylpyrazol-5-yl)methanone
CID 81210449
(3-amino-3-methylazetidin-1-yl)-(1,3-diethylpyrazol-5-yl)methanone
CID 66121428
(3-cyclopropyl-3-hydroxyazetidin-1-yl)-(1,3-diethylpyrazol-5-yl)methanone
CID 66122570

Frequently Asked Questions

What is the IUPAC name of [3-(2-aminoethyl)pyrrolidin-1-yl]-(1,3-diethylpyrazol-5-yl)methanone?
The IUPAC name of [3-(2-aminoethyl)pyrrolidin-1-yl]-(1,3-diethylpyrazol-5-yl)methanone (CID 114802193) is [3-(2-aminoethyl)pyrrolidin-1-yl]-(1,3-diethylpyrazol-5-yl)methanone.
What is the SMILES notation for [3-(2-aminoethyl)pyrrolidin-1-yl]-(1,3-diethylpyrazol-5-yl)methanone?
The canonical SMILES for [3-(2-aminoethyl)pyrrolidin-1-yl]-(1,3-diethylpyrazol-5-yl)methanone is CCc1cc(C(=O)N2CCC(CCN)C2)n(CC)n1.
What is the InChIKey of [3-(2-aminoethyl)pyrrolidin-1-yl]-(1,3-diethylpyrazol-5-yl)methanone?
The InChIKey is NEAOYZYKBYJDJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-3-12-9-13(18(4-2)16-12)14(19)17-8-6-11(10-17)5-7-15/h9,11H,3-8,10,15H2,1-2H3.
What are the key properties of [3-(2-aminoethyl)pyrrolidin-1-yl]-(1,3-diethylpyrazol-5-yl)methanone?
[3-(2-aminoethyl)pyrrolidin-1-yl]-(1,3-diethylpyrazol-5-yl)methanone has a molecular weight of 264.37 g/mol, XLogP of 1.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-aminoethyl)pyrrolidin-1-yl]-(1,3-diethylpyrazol-5-yl)methanone is sourced from PubChem (CID 114802193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).