2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(2-propylpyrrolidin-2-yl)ethanone

C15H24ClN3O — CID 106976815

IUPAC2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(2-propylpyrrolidin-2-yl)ethanone
SMILESCCCC1(C(=O)Cc2c(Cl)c(CC)nn2C)CCCN1
InChIInChI=1S/C15H24ClN3O/c1-4-7-15(8-6-9-17-15)13(20)10-12-14(16)11(5-2)18-19(12)3/h17H,4-10H2,1-3H3
InChIKeyLUOHRHZREDTQEL-UHFFFAOYSA-N
MW297.83 g/mol
LogP2.67
Rot. Bonds6

About 2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(2-propylpyrrolidin-2-yl)ethanone

2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(2-propylpyrrolidin-2-yl)ethanone (PubChem CID 106976815) has the molecular formula C15H24ClN3O and a molecular weight of 297.83 g/mol. Its IUPAC name is 2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(2-propylpyrrolidin-2-yl)ethanone.

Molecular Properties

Compound Name2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(2-propylpyrrolidin-2-yl)ethanone
PubChem CID106976815
Molecular FormulaC15H24ClN3O
Molecular Weight297.83 g/mol
Exact Mass297.16
IUPAC Name2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(2-propylpyrrolidin-2-yl)ethanone
SMILESCCCC1(C(=O)Cc2c(Cl)c(CC)nn2C)CCCN1
InChIInChI=1S/C15H24ClN3O/c1-4-7-15(8-6-9-17-15)13(20)10-12-14(16)11(5-2)18-19(12)3/h17H,4-10H2,1-3H3
InChIKeyLUOHRHZREDTQEL-UHFFFAOYSA-N
XLogP2.67
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.83
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(2-propylpyrrolidin-2-yl)ethanone
CID 106976707
2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(3-propan-2-ylpyrrolidin-3-yl)ethanone
CID 106982279
2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(1-ethoxycyclohexyl)ethanone
CID 116748381
2-(2,6-dichlorophenyl)-1-(2-propylpyrrolidin-2-yl)ethanone
CID 106976775
2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(3-propylpiperidin-3-yl)ethanone
CID 116569815
1-(azetidin-3-yl)-2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)ethanone
CID 116583884
4-chloro-5-[(2-cyclopropylpyrrolidin-2-yl)methyl]-3-ethyl-1-methylpyrazole
CID 66466493
2-(2-ethyl-1,2,4-triazol-3-yl)-1-(2-propylpyrrolidin-2-yl)ethanone
CID 106976754
2-(2,6-dimethylphenyl)-1-(2-propylpyrrolidin-2-yl)ethanone
CID 106976659
2-(4-bromothiophen-2-yl)-1-(2-propylpyrrolidin-2-yl)ethanone
CID 106976816
2-(3-chloro-4-fluorophenyl)-1-(2-propylpyrrolidin-2-yl)ethanone
CID 106976614
1-(2-ethylpyrrolidin-2-yl)-2-(1-methylindazol-3-yl)ethanone
CID 116608186

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(2-propylpyrrolidin-2-yl)ethanone?
The IUPAC name of 2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(2-propylpyrrolidin-2-yl)ethanone (CID 106976815) is 2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(2-propylpyrrolidin-2-yl)ethanone.
What is the SMILES notation for 2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(2-propylpyrrolidin-2-yl)ethanone?
The canonical SMILES for 2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(2-propylpyrrolidin-2-yl)ethanone is CCCC1(C(=O)Cc2c(Cl)c(CC)nn2C)CCCN1.
What is the InChIKey of 2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(2-propylpyrrolidin-2-yl)ethanone?
The InChIKey is LUOHRHZREDTQEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClN3O/c1-4-7-15(8-6-9-17-15)13(20)10-12-14(16)11(5-2)18-19(12)3/h17H,4-10H2,1-3H3.
What are the key properties of 2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(2-propylpyrrolidin-2-yl)ethanone?
2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(2-propylpyrrolidin-2-yl)ethanone has a molecular weight of 297.83 g/mol, XLogP of 2.67, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(2-propylpyrrolidin-2-yl)ethanone is sourced from PubChem (CID 106976815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).