2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]ethanone

C13H20ClN3O2 — CID 110023388

IUPAC2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]ethanone
SMILESCc1nn(CC(=O)N2CCC(C(C)O)C2)c(C)c1Cl
InChIInChI=1S/C13H20ClN3O2/c1-8-13(14)9(2)17(15-8)7-12(19)16-5-4-11(6-16)10(3)18/h10-11,18H,4-7H2,1-3H3
InChIKeyJCVMLXHFIPBYIL-UHFFFAOYSA-N
MW285.77 g/mol
LogP1.38
Rot. Bonds3

About 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]ethanone

2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]ethanone (PubChem CID 110023388) has the molecular formula C13H20ClN3O2 and a molecular weight of 285.77 g/mol. Its IUPAC name is 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]ethanone
PubChem CID110023388
Molecular FormulaC13H20ClN3O2
Molecular Weight285.77 g/mol
Exact Mass285.12
IUPAC Name2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]ethanone
SMILESCc1nn(CC(=O)N2CCC(C(C)O)C2)c(C)c1Cl
InChIInChI=1S/C13H20ClN3O2/c1-8-13(14)9(2)17(15-8)7-12(19)16-5-4-11(6-16)10(3)18/h10-11,18H,4-7H2,1-3H3
InChIKeyJCVMLXHFIPBYIL-UHFFFAOYSA-N
XLogP1.38
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.77
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]ethanone 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-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)-N-[(1R*)-1-(trans-3-hydroxycyclobutyl)propyl]acetamide
CID 91773530
(3S)-1-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-5-oxopyrrolidine-3-carboxylic acid
CID 95125573
2-(4-Chloro-3,5-dimethylpyrazol-1-yl)-1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)ethanone
CID 102554606
2-(4-Chloro-3,5-dimethylpyrazol-1-yl)-1-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]ethanone
CID 109884385
(3S,4S)-1-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)acetyl]-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid;hydrochloride
CID 120949168
N-[[4-chloro-2-methyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]-2-[(3R,4S)-4-hydroxy-1-methylpyrrolidin-3-yl]acetamide
CID 154794441
(3S*,4S*)-1-[(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)acetyl]piperidine-3,4-diol
CID 56884636
(3S*,4R*)-1-[(4-ethyl-3,5-dimethyl-1H-pyrazol-1-yl)acetyl]-4-(hydroxymethyl)-3-piperidinol
CID 56899505
2-[{[(3R*,4R*)-1-[(4-chloro-1,3-dimethyl-1H-pyrazol-5-yl)carbonyl]-4-(hydroxymethyl)pyrrolidin-3-yl]methyl}(methyl)amino]ethanol
CID 70767760
2-(4-Chloro-3,5-dimethylpyrazol-1-yl)-1-pyrrolidin-1-ylethanone
CID 35334986
2-(4-Chloro-3,5-dimethylpyrazol-1-yl)-1-(4-methylpiperidin-1-yl)ethanone
CID 39891681
2-[4-(Hydroxymethyl)-3,5-dimethylpyrazol-1-yl]-1-pyrrolidin-1-ylethanone
CID 43647343

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]ethanone?
The IUPAC name of 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]ethanone (CID 110023388) is 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]ethanone is Cc1nn(CC(=O)N2CCC(C(C)O)C2)c(C)c1Cl.
What is the InChIKey of 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]ethanone?
The InChIKey is JCVMLXHFIPBYIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3O2/c1-8-13(14)9(2)17(15-8)7-12(19)16-5-4-11(6-16)10(3)18/h10-11,18H,4-7H2,1-3H3.
What are the key properties of 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]ethanone?
2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]ethanone has a molecular weight of 285.77 g/mol, XLogP of 1.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 110023388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).