1-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]pyrrolidine-3,4-diol

C11H18ClN3O2 — CID 106672188

IUPAC1-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]pyrrolidine-3,4-diol
SMILESCCc1nn(C)c(CN2CC(O)C(O)C2)c1Cl
InChIInChI=1S/C11H18ClN3O2/c1-3-7-11(12)8(14(2)13-7)4-15-5-9(16)10(17)6-15/h9-10,16-17H,3-6H2,1-2H3
InChIKeyFKHCYKRTSABWLA-UHFFFAOYSA-N
MW259.74 g/mol
LogP0.17
Rot. Bonds3

About 1-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]pyrrolidine-3,4-diol

1-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]pyrrolidine-3,4-diol (PubChem CID 106672188) has the molecular formula C11H18ClN3O2 and a molecular weight of 259.74 g/mol. Its IUPAC name is 1-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]pyrrolidine-3,4-diol.

Molecular Properties

Compound Name1-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]pyrrolidine-3,4-diol
PubChem CID106672188
Molecular FormulaC11H18ClN3O2
Molecular Weight259.74 g/mol
Exact Mass259.11
IUPAC Name1-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]pyrrolidine-3,4-diol
SMILESCCc1nn(C)c(CN2CC(O)C(O)C2)c1Cl
InChIInChI=1S/C11H18ClN3O2/c1-3-7-11(12)8(14(2)13-7)4-15-5-9(16)10(17)6-15/h9-10,16-17H,3-6H2,1-2H3
InChIKeyFKHCYKRTSABWLA-UHFFFAOYSA-N
XLogP0.17
TPSA61.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.74
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]pyrrolidine-3,4-diol 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

(3S)-1-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]piperidin-3-ol
CID 107225981
[4-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]-6-methylmorpholin-2-yl]methanol
CID 102935872
1-[1-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]azetidin-3-yl]piperazine
CID 66197341
4-bromo-1-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]piperidine
CID 80680393
3-bromo-1-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]piperidine
CID 80679511
1-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]-4-methylpiperidin-4-ol
CID 81115995
5-[[3-(bromomethyl)pyrrolidin-1-yl]methyl]-4-chloro-3-ethyl-1-methylpyrazole
CID 80690615
2-(bromomethyl)-4-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]-6-methylmorpholine
CID 102936921
(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methanol
CID 57359274
3-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]-3,9-diazabicyclo[4.2.1]nonane
CID 115314492
1-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 114351830
2-[1-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]pyrrolidin-2-yl]cyclopentan-1-ol
CID 114339257

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]pyrrolidine-3,4-diol?
The IUPAC name of 1-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]pyrrolidine-3,4-diol (CID 106672188) is 1-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]pyrrolidine-3,4-diol.
What is the SMILES notation for 1-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]pyrrolidine-3,4-diol?
The canonical SMILES for 1-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]pyrrolidine-3,4-diol is CCc1nn(C)c(CN2CC(O)C(O)C2)c1Cl.
What is the InChIKey of 1-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]pyrrolidine-3,4-diol?
The InChIKey is FKHCYKRTSABWLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClN3O2/c1-3-7-11(12)8(14(2)13-7)4-15-5-9(16)10(17)6-15/h9-10,16-17H,3-6H2,1-2H3.
What are the key properties of 1-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]pyrrolidine-3,4-diol?
1-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]pyrrolidine-3,4-diol has a molecular weight of 259.74 g/mol, XLogP of 0.17, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]pyrrolidine-3,4-diol is sourced from PubChem (CID 106672188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).