2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-[1-(dimethylamino)cyclopentyl]ethanone

C14H22ClN3O — CID 113470131

IUPAC2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-[1-(dimethylamino)cyclopentyl]ethanone
SMILESCc1nn(C)c(Cl)c1CC(=O)C1(N(C)C)CCCC1
InChIInChI=1S/C14H22ClN3O/c1-10-11(13(15)18(4)16-10)9-12(19)14(17(2)3)7-5-6-8-14/h5-9H2,1-4H3
InChIKeyGLLXQZISPIDHHO-UHFFFAOYSA-N
MW283.80 g/mol
LogP2.37
Rot. Bonds4

About 2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-[1-(dimethylamino)cyclopentyl]ethanone

2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-[1-(dimethylamino)cyclopentyl]ethanone (PubChem CID 113470131) 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-[1-(dimethylamino)cyclopentyl]ethanone.

Molecular Properties

Compound Name2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-[1-(dimethylamino)cyclopentyl]ethanone
PubChem CID113470131
Molecular FormulaC14H22ClN3O
Molecular Weight283.80 g/mol
Exact Mass283.15
IUPAC Name2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-[1-(dimethylamino)cyclopentyl]ethanone
SMILESCc1nn(C)c(Cl)c1CC(=O)C1(N(C)C)CCCC1
InChIInChI=1S/C14H22ClN3O/c1-10-11(13(15)18(4)16-10)9-12(19)14(17(2)3)7-5-6-8-14/h5-9H2,1-4H3
InChIKeyGLLXQZISPIDHHO-UHFFFAOYSA-N
XLogP2.37
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.80
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(1-methoxycyclohexyl)ethanone
CID 116748161
1-(1-aminocyclopentyl)-3-(5-chloro-1,3-dimethylpyrazol-4-yl)propan-2-one
CID 116578705
2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(3-propylpyrrolidin-3-yl)ethanone
CID 116570580
1-(3-aminooxolan-3-yl)-2-(5-chloro-1,3-dimethylpyrazol-4-yl)ethanone
CID 116579569
2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(2-propylpyrrolidin-2-yl)ethanone
CID 106976707
2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(1-methoxy-3-methylcyclohexyl)ethanone
CID 116749703
2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-[1-(dimethylamino)-3-methylcyclohexyl]ethanone
CID 79062584
2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(1-ethoxy-4-methylcyclohexyl)ethanone
CID 116749459
1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]cyclooctan-1-amine
CID 113470743
4-amino-1-(5-chloro-1,3-dimethylpyrazol-4-yl)pentan-2-one
CID 116555894
1-(5-chloro-1,3-dimethylpyrazol-4-yl)-4-methyl-3-propan-2-ylpentan-2-one
CID 114281965
4-amino-1-(5-chloro-1,3-dimethylpyrazol-4-yl)butan-2-one
CID 116550729

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-[1-(dimethylamino)cyclopentyl]ethanone?
The IUPAC name of 2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-[1-(dimethylamino)cyclopentyl]ethanone (CID 113470131) is 2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-[1-(dimethylamino)cyclopentyl]ethanone.
What is the SMILES notation for 2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-[1-(dimethylamino)cyclopentyl]ethanone?
The canonical SMILES for 2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-[1-(dimethylamino)cyclopentyl]ethanone is Cc1nn(C)c(Cl)c1CC(=O)C1(N(C)C)CCCC1.
What is the InChIKey of 2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-[1-(dimethylamino)cyclopentyl]ethanone?
The InChIKey is GLLXQZISPIDHHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN3O/c1-10-11(13(15)18(4)16-10)9-12(19)14(17(2)3)7-5-6-8-14/h5-9H2,1-4H3.
What are the key properties of 2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-[1-(dimethylamino)cyclopentyl]ethanone?
2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-[1-(dimethylamino)cyclopentyl]ethanone has a molecular weight of 283.80 g/mol, XLogP of 2.37, 4 rotatable bonds, 0 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-[1-(dimethylamino)cyclopentyl]ethanone is sourced from PubChem (CID 113470131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).