3-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-1,5-dimethylpyrrolidin-3-ol

C13H23N3O — CID 81468548

IUPAC3-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-1,5-dimethylpyrrolidin-3-ol
SMILESCCn1nc(C)cc1CC1(O)CC(C)N(C)C1
InChIInChI=1S/C13H23N3O/c1-5-16-12(6-10(2)14-16)8-13(17)7-11(3)15(4)9-13/h6,11,17H,5,7-9H2,1-4H3
InChIKeyCHYBDJAVRYSVFK-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.21
Rot. Bonds3

About 3-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-1,5-dimethylpyrrolidin-3-ol

3-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-1,5-dimethylpyrrolidin-3-ol (PubChem CID 81468548) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 3-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-1,5-dimethylpyrrolidin-3-ol.

Molecular Properties

Compound Name3-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-1,5-dimethylpyrrolidin-3-ol
PubChem CID81468548
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name3-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-1,5-dimethylpyrrolidin-3-ol
SMILESCCn1nc(C)cc1CC1(O)CC(C)N(C)C1
InChIInChI=1S/C13H23N3O/c1-5-16-12(6-10(2)14-16)8-13(17)7-11(3)15(4)9-13/h6,11,17H,5,7-9H2,1-4H3
InChIKeyCHYBDJAVRYSVFK-UHFFFAOYSA-N
XLogP1.21
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-1,5-dimethylpyrrolidin-3-ol?
The IUPAC name of 3-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-1,5-dimethylpyrrolidin-3-ol (CID 81468548) is 3-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-1,5-dimethylpyrrolidin-3-ol.
What is the SMILES notation for 3-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-1,5-dimethylpyrrolidin-3-ol?
The canonical SMILES for 3-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-1,5-dimethylpyrrolidin-3-ol is CCn1nc(C)cc1CC1(O)CC(C)N(C)C1.
What is the InChIKey of 3-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-1,5-dimethylpyrrolidin-3-ol?
The InChIKey is CHYBDJAVRYSVFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-5-16-12(6-10(2)14-16)8-13(17)7-11(3)15(4)9-13/h6,11,17H,5,7-9H2,1-4H3.
What are the key properties of 3-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-1,5-dimethylpyrrolidin-3-ol?
3-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-1,5-dimethylpyrrolidin-3-ol has a molecular weight of 237.35 g/mol, XLogP of 1.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-1,5-dimethylpyrrolidin-3-ol is sourced from PubChem (CID 81468548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).