2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-pyrrolidin-1-ylethanone

C11H16ClN3O — CID 35334986

IUPAC2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-pyrrolidin-1-ylethanone
SMILESCc1nn(CC(=O)N2CCCC2)c(C)c1Cl
InChIInChI=1S/C11H16ClN3O/c1-8-11(12)9(2)15(13-8)7-10(16)14-5-3-4-6-14/h3-7H2,1-2H3
InChIKeyWMOAJLULRYNHBT-UHFFFAOYSA-N
MW241.72 g/mol
LogP1.78
Rot. Bonds2

About 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-pyrrolidin-1-ylethanone

2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-pyrrolidin-1-ylethanone (PubChem CID 35334986) has the molecular formula C11H16ClN3O and a molecular weight of 241.72 g/mol. Its IUPAC name is 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-pyrrolidin-1-ylethanone
PubChem CID35334986
Molecular FormulaC11H16ClN3O
Molecular Weight241.72 g/mol
Exact Mass241.10
IUPAC Name2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-pyrrolidin-1-ylethanone
SMILESCc1nn(CC(=O)N2CCCC2)c(C)c1Cl
InChIInChI=1S/C11H16ClN3O/c1-8-11(12)9(2)15(13-8)7-10(16)14-5-3-4-6-14/h3-7H2,1-2H3
InChIKeyWMOAJLULRYNHBT-UHFFFAOYSA-N
XLogP1.78
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-pyrrolidin-1-ylethanone (CID 35334986) is 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-pyrrolidin-1-ylethanone is Cc1nn(CC(=O)N2CCCC2)c(C)c1Cl.
What is the InChIKey of 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-pyrrolidin-1-ylethanone?
The InChIKey is WMOAJLULRYNHBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O/c1-8-11(12)9(2)15(13-8)7-10(16)14-5-3-4-6-14/h3-7H2,1-2H3.
What are the key properties of 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-pyrrolidin-1-ylethanone?
2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-pyrrolidin-1-ylethanone has a molecular weight of 241.72 g/mol, XLogP of 1.78, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 35334986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).