1-[1-(1,3-diethylpyrazole-5-carbonyl)pyrrolidin-2-yl]propan-2-one

C15H23N3O2 — CID 79541209

IUPAC1-[1-(1,3-diethylpyrazole-5-carbonyl)pyrrolidin-2-yl]propan-2-one
SMILESCCc1cc(C(=O)N2CCCC2CC(C)=O)n(CC)n1
InChIInChI=1S/C15H23N3O2/c1-4-12-10-14(18(5-2)16-12)15(20)17-8-6-7-13(17)9-11(3)19/h10,13H,4-9H2,1-3H3
InChIKeyAZPKVRAQOMEICI-UHFFFAOYSA-N
MW277.37 g/mol
LogP2.05
Rot. Bonds5

About 1-[1-(1,3-diethylpyrazole-5-carbonyl)pyrrolidin-2-yl]propan-2-one

1-[1-(1,3-diethylpyrazole-5-carbonyl)pyrrolidin-2-yl]propan-2-one (PubChem CID 79541209) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 1-[1-(1,3-diethylpyrazole-5-carbonyl)pyrrolidin-2-yl]propan-2-one.

Molecular Properties

Compound Name1-[1-(1,3-diethylpyrazole-5-carbonyl)pyrrolidin-2-yl]propan-2-one
PubChem CID79541209
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name1-[1-(1,3-diethylpyrazole-5-carbonyl)pyrrolidin-2-yl]propan-2-one
SMILESCCc1cc(C(=O)N2CCCC2CC(C)=O)n(CC)n1
InChIInChI=1S/C15H23N3O2/c1-4-12-10-14(18(5-2)16-12)15(20)17-8-6-7-13(17)9-11(3)19/h10,13H,4-9H2,1-3H3
InChIKeyAZPKVRAQOMEICI-UHFFFAOYSA-N
XLogP2.05
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[1-(1,3-diethylpyrazole-5-carbonyl)pyrrolidin-2-yl]propan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1,3-diethylpyrazol-5-yl)-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 66261829
(1,3-diethylpyrazol-5-yl)-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 66122565
[2-(3-aminopropyl)pyrrolidin-1-yl]-(1,3-diethylpyrazol-5-yl)methanone
CID 66121036
1-(1,3-diethylpyrazole-5-carbonyl)piperidine-2-carboxylic acid
CID 66122346
1-(1,3-diethylpyrazole-5-carbonyl)-N'-hydroxypiperidine-2-carboximidamide
CID 77113104
(3-ethyl-1-methylpyrazol-5-yl)-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 79029176
[2-(aminomethyl)-4-ethylpiperidin-1-yl]-(1,3-diethylpyrazol-5-yl)methanone
CID 103352365
[1-ethyl-3-(2-methylpropyl)pyrazol-5-yl]-[(2S)-2-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone
CID 97116000
methyl 2-[1-(3-ethyl-1-methylpyrazole-5-carbonyl)piperidin-2-yl]acetate
CID 66122706
azepan-1-yl-(1,3-diethylpyrazol-5-yl)methanone
CID 66120416
[2-(2-bromopropyl)pyrrolidin-1-yl]-(3-ethyl-1-methylpyrazol-5-yl)methanone
CID 112748457
(3-aminopiperidin-1-yl)-(1,3-diethylpyrazol-5-yl)methanone
CID 66121216

Frequently Asked Questions

What is the IUPAC name of 1-[1-(1,3-diethylpyrazole-5-carbonyl)pyrrolidin-2-yl]propan-2-one?
The IUPAC name of 1-[1-(1,3-diethylpyrazole-5-carbonyl)pyrrolidin-2-yl]propan-2-one (CID 79541209) is 1-[1-(1,3-diethylpyrazole-5-carbonyl)pyrrolidin-2-yl]propan-2-one.
What is the SMILES notation for 1-[1-(1,3-diethylpyrazole-5-carbonyl)pyrrolidin-2-yl]propan-2-one?
The canonical SMILES for 1-[1-(1,3-diethylpyrazole-5-carbonyl)pyrrolidin-2-yl]propan-2-one is CCc1cc(C(=O)N2CCCC2CC(C)=O)n(CC)n1.
What is the InChIKey of 1-[1-(1,3-diethylpyrazole-5-carbonyl)pyrrolidin-2-yl]propan-2-one?
The InChIKey is AZPKVRAQOMEICI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-4-12-10-14(18(5-2)16-12)15(20)17-8-6-7-13(17)9-11(3)19/h10,13H,4-9H2,1-3H3.
What are the key properties of 1-[1-(1,3-diethylpyrazole-5-carbonyl)pyrrolidin-2-yl]propan-2-one?
1-[1-(1,3-diethylpyrazole-5-carbonyl)pyrrolidin-2-yl]propan-2-one has a molecular weight of 277.37 g/mol, XLogP of 2.05, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1,3-diethylpyrazole-5-carbonyl)pyrrolidin-2-yl]propan-2-one is sourced from PubChem (CID 79541209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).