(1,5-dimethylpyrazol-4-yl)-[2-(2-hydroxypropyl)pyrrolidin-1-yl]methanone

C13H21N3O2 — CID 79547117

IUPAC(1,5-dimethylpyrazol-4-yl)-[2-(2-hydroxypropyl)pyrrolidin-1-yl]methanone
SMILESCc1c(C(=O)N2CCCC2CC(C)O)cnn1C
InChIInChI=1S/C13H21N3O2/c1-9(17)7-11-5-4-6-16(11)13(18)12-8-14-15(3)10(12)2/h8-9,11,17H,4-7H2,1-3H3
InChIKeyLYNVYRHQJROTJF-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.10
Rot. Bonds3

About (1,5-dimethylpyrazol-4-yl)-[2-(2-hydroxypropyl)pyrrolidin-1-yl]methanone

(1,5-dimethylpyrazol-4-yl)-[2-(2-hydroxypropyl)pyrrolidin-1-yl]methanone (PubChem CID 79547117) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is (1,5-dimethylpyrazol-4-yl)-[2-(2-hydroxypropyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(1,5-dimethylpyrazol-4-yl)-[2-(2-hydroxypropyl)pyrrolidin-1-yl]methanone
PubChem CID79547117
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name(1,5-dimethylpyrazol-4-yl)-[2-(2-hydroxypropyl)pyrrolidin-1-yl]methanone
SMILESCc1c(C(=O)N2CCCC2CC(C)O)cnn1C
InChIInChI=1S/C13H21N3O2/c1-9(17)7-11-5-4-6-16(11)13(18)12-8-14-15(3)10(12)2/h8-9,11,17H,4-7H2,1-3H3
InChIKeyLYNVYRHQJROTJF-UHFFFAOYSA-N
XLogP1.10
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (1,5-dimethylpyrazol-4-yl)-[2-(2-hydroxypropyl)pyrrolidin-1-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

[2-(chloromethyl)piperidin-1-yl]-(1,5-dimethylpyrazol-4-yl)methanone
CID 55188355
(1,5-dimethylpyrazol-4-yl)-[2-(3-hydroxypropyl)pyrrolidin-1-yl]methanone
CID 55076306
1-[1-(1,5-dimethylpyrazole-4-carbonyl)azepan-2-yl]propan-2-one
CID 79553133
[2-(2-hydroxypropyl)pyrrolidin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone
CID 79547043
[2-(2-hydroxypropyl)pyrrolidin-1-yl]-pyrazolo[1,5-a]pyrazin-3-ylmethanone
CID 103120401
[5-(2,5-dimethylpyrrol-1-yl)-1-methylpyrazol-4-yl]-[(2S)-2-[(2S)-2-hydroxy-2-phenylethyl]pyrrolidin-1-yl]methanone
CID 99774743
[2-(2-hydroxypropyl)azepan-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 79552839
[(2R,3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]-(1,5-dimethylpyrazol-4-yl)methanone
CID 95357635
(1,5-dimethylpyrazol-4-yl)-[2-[(2-methyl-3-pyridinyl)oxymethyl]pyrrolidin-1-yl]methanone
CID 136548080
(2-fluoro-5-methylphenyl)-[2-(2-hydroxypropyl)pyrrolidin-1-yl]methanone
CID 79546955
(1-ethylpyrazol-4-yl)-[2-(2-hydroxypropyl)pyrrolidin-1-yl]methanone
CID 75431671
3-amino-N-[[1-(1,5-dimethylpyrazole-4-carbonyl)piperidin-2-yl]methyl]propanamide
CID 120580035

Frequently Asked Questions

What is the IUPAC name of (1,5-dimethylpyrazol-4-yl)-[2-(2-hydroxypropyl)pyrrolidin-1-yl]methanone?
The IUPAC name of (1,5-dimethylpyrazol-4-yl)-[2-(2-hydroxypropyl)pyrrolidin-1-yl]methanone (CID 79547117) is (1,5-dimethylpyrazol-4-yl)-[2-(2-hydroxypropyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (1,5-dimethylpyrazol-4-yl)-[2-(2-hydroxypropyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (1,5-dimethylpyrazol-4-yl)-[2-(2-hydroxypropyl)pyrrolidin-1-yl]methanone is Cc1c(C(=O)N2CCCC2CC(C)O)cnn1C.
What is the InChIKey of (1,5-dimethylpyrazol-4-yl)-[2-(2-hydroxypropyl)pyrrolidin-1-yl]methanone?
The InChIKey is LYNVYRHQJROTJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-9(17)7-11-5-4-6-16(11)13(18)12-8-14-15(3)10(12)2/h8-9,11,17H,4-7H2,1-3H3.
What are the key properties of (1,5-dimethylpyrazol-4-yl)-[2-(2-hydroxypropyl)pyrrolidin-1-yl]methanone?
(1,5-dimethylpyrazol-4-yl)-[2-(2-hydroxypropyl)pyrrolidin-1-yl]methanone has a molecular weight of 251.33 g/mol, XLogP of 1.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1,5-dimethylpyrazol-4-yl)-[2-(2-hydroxypropyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 79547117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).