2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(2-propylpyrrolidin-2-yl)ethanone

C14H22ClN3O — CID 106976707

IUPAC2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(2-propylpyrrolidin-2-yl)ethanone
SMILESCCCC1(C(=O)Cc2c(C)nn(C)c2Cl)CCCN1
InChIInChI=1S/C14H22ClN3O/c1-4-6-14(7-5-8-16-14)12(19)9-11-10(2)17-18(3)13(11)15/h16H,4-9H2,1-3H3
InChIKeyPXURKVXUWXVMMJ-UHFFFAOYSA-N
MW283.80 g/mol
LogP2.42
Rot. Bonds5

About 2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(2-propylpyrrolidin-2-yl)ethanone

2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(2-propylpyrrolidin-2-yl)ethanone (PubChem CID 106976707) has the molecular formula C14H22ClN3O and a molecular weight of 283.80 g/mol. Its IUPAC name is 2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(2-propylpyrrolidin-2-yl)ethanone.

Molecular Properties

Compound Name2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(2-propylpyrrolidin-2-yl)ethanone
PubChem CID106976707
Molecular FormulaC14H22ClN3O
Molecular Weight283.80 g/mol
Exact Mass283.15
IUPAC Name2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(2-propylpyrrolidin-2-yl)ethanone
SMILESCCCC1(C(=O)Cc2c(C)nn(C)c2Cl)CCCN1
InChIInChI=1S/C14H22ClN3O/c1-4-6-14(7-5-8-16-14)12(19)9-11-10(2)17-18(3)13(11)15/h16H,4-9H2,1-3H3
InChIKeyPXURKVXUWXVMMJ-UHFFFAOYSA-N
XLogP2.42
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.80
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(3-propylpyrrolidin-3-yl)ethanone
CID 116570580
2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(2-propylpyrrolidin-2-yl)ethanone
CID 106976815
2-(2,6-dichlorophenyl)-1-(2-propylpyrrolidin-2-yl)ethanone
CID 106976775
2-(2,6-dimethylphenyl)-1-(2-propylpyrrolidin-2-yl)ethanone
CID 106976659
2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-[1-(dimethylamino)cyclopentyl]ethanone
CID 113470131
2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(1-methoxycyclohexyl)ethanone
CID 116748161
2-(2-ethyl-1,2,4-triazol-3-yl)-1-(2-propylpyrrolidin-2-yl)ethanone
CID 106976754
1-(1-aminocyclopentyl)-3-(5-chloro-1,3-dimethylpyrazol-4-yl)propan-2-one
CID 116578705
N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-propylpyrrolidine-2-carboxamide
CID 106975716
2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(1-ethoxy-4-methylcyclohexyl)ethanone
CID 116749459
5-chloro-1,3-dimethyl-4-[(2-propan-2-ylpyrrolidin-2-yl)methyl]pyrazole
CID 113470300
2-(4-bromothiophen-2-yl)-1-(2-propylpyrrolidin-2-yl)ethanone
CID 106976816

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(2-propylpyrrolidin-2-yl)ethanone?
The IUPAC name of 2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(2-propylpyrrolidin-2-yl)ethanone (CID 106976707) is 2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(2-propylpyrrolidin-2-yl)ethanone.
What is the SMILES notation for 2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(2-propylpyrrolidin-2-yl)ethanone?
The canonical SMILES for 2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(2-propylpyrrolidin-2-yl)ethanone is CCCC1(C(=O)Cc2c(C)nn(C)c2Cl)CCCN1.
What is the InChIKey of 2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(2-propylpyrrolidin-2-yl)ethanone?
The InChIKey is PXURKVXUWXVMMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN3O/c1-4-6-14(7-5-8-16-14)12(19)9-11-10(2)17-18(3)13(11)15/h16H,4-9H2,1-3H3.
What are the key properties of 2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(2-propylpyrrolidin-2-yl)ethanone?
2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(2-propylpyrrolidin-2-yl)ethanone has a molecular weight of 283.80 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(2-propylpyrrolidin-2-yl)ethanone is sourced from PubChem (CID 106976707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).