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

C15H26N4O — CID 66121036

IUPAC[2-(3-aminopropyl)pyrrolidin-1-yl]-(1,3-diethylpyrazol-5-yl)methanone
SMILESCCc1cc(C(=O)N2CCCC2CCCN)n(CC)n1
InChIInChI=1S/C15H26N4O/c1-3-12-11-14(19(4-2)17-12)15(20)18-10-6-8-13(18)7-5-9-16/h11,13H,3-10,16H2,1-2H3
InChIKeyLIUNKUQGLLZCFQ-UHFFFAOYSA-N
MW278.40 g/mol
LogP1.81
Rot. Bonds6

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

[2-(3-aminopropyl)pyrrolidin-1-yl]-(1,3-diethylpyrazol-5-yl)methanone (PubChem CID 66121036) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is [2-(3-aminopropyl)pyrrolidin-1-yl]-(1,3-diethylpyrazol-5-yl)methanone.

Molecular Properties

Compound Name[2-(3-aminopropyl)pyrrolidin-1-yl]-(1,3-diethylpyrazol-5-yl)methanone
PubChem CID66121036
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Name[2-(3-aminopropyl)pyrrolidin-1-yl]-(1,3-diethylpyrazol-5-yl)methanone
SMILESCCc1cc(C(=O)N2CCCC2CCCN)n(CC)n1
InChIInChI=1S/C15H26N4O/c1-3-12-11-14(19(4-2)17-12)15(20)18-10-6-8-13(18)7-5-9-16/h11,13H,3-10,16H2,1-2H3
InChIKeyLIUNKUQGLLZCFQ-UHFFFAOYSA-N
XLogP1.81
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-(3-aminopropyl)pyrrolidin-1-yl]-(1,3-diethylpyrazol-5-yl)methanone 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
1-[1-(1,3-diethylpyrazole-5-carbonyl)pyrrolidin-2-yl]propan-2-one
CID 79541209
[2-(aminomethyl)-4-ethylpiperidin-1-yl]-(1,3-diethylpyrazol-5-yl)methanone
CID 103352365
1-(1,3-diethylpyrazole-5-carbonyl)-N'-hydroxypiperidine-2-carboximidamide
CID 77113104
1-(1,3-diethylpyrazole-5-carbonyl)piperidine-2-carboxylic acid
CID 66122346
(3-ethyl-1-methylpyrazol-5-yl)-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 79029176
(2-ethyl-5-methylpyrazol-3-yl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 66122618
[3-(2-aminoethyl)pyrrolidin-1-yl]-(1,3-diethylpyrazol-5-yl)methanone
CID 114802193
[2-(3-aminopropyl)pyrrolidin-1-yl]-(3-ethyl-6-methylpyridazin-4-yl)methanone
CID 104672847
3-[1-(2-ethyl-5-methylpyrazole-3-carbonyl)piperidin-2-yl]propanoic acid
CID 66126978
(3-aminopiperidin-1-yl)-(1,3-diethylpyrazol-5-yl)methanone
CID 66121216

Frequently Asked Questions

What is the IUPAC name of [2-(3-aminopropyl)pyrrolidin-1-yl]-(1,3-diethylpyrazol-5-yl)methanone?
The IUPAC name of [2-(3-aminopropyl)pyrrolidin-1-yl]-(1,3-diethylpyrazol-5-yl)methanone (CID 66121036) is [2-(3-aminopropyl)pyrrolidin-1-yl]-(1,3-diethylpyrazol-5-yl)methanone.
What is the SMILES notation for [2-(3-aminopropyl)pyrrolidin-1-yl]-(1,3-diethylpyrazol-5-yl)methanone?
The canonical SMILES for [2-(3-aminopropyl)pyrrolidin-1-yl]-(1,3-diethylpyrazol-5-yl)methanone is CCc1cc(C(=O)N2CCCC2CCCN)n(CC)n1.
What is the InChIKey of [2-(3-aminopropyl)pyrrolidin-1-yl]-(1,3-diethylpyrazol-5-yl)methanone?
The InChIKey is LIUNKUQGLLZCFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-3-12-11-14(19(4-2)17-12)15(20)18-10-6-8-13(18)7-5-9-16/h11,13H,3-10,16H2,1-2H3.
What are the key properties of [2-(3-aminopropyl)pyrrolidin-1-yl]-(1,3-diethylpyrazol-5-yl)methanone?
[2-(3-aminopropyl)pyrrolidin-1-yl]-(1,3-diethylpyrazol-5-yl)methanone has a molecular weight of 278.40 g/mol, XLogP of 1.81, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-aminopropyl)pyrrolidin-1-yl]-(1,3-diethylpyrazol-5-yl)methanone is sourced from PubChem (CID 66121036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).