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

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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).