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

C14H22ClN3O — CID 116570580

IUPAC2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(3-propylpyrrolidin-3-yl)ethanone
SMILESCCCC1(C(=O)Cc2c(C)nn(C)c2Cl)CCNC1
InChIInChI=1S/C14H22ClN3O/c1-4-5-14(6-7-16-9-14)12(19)8-11-10(2)17-18(3)13(11)15/h16H,4-9H2,1-3H3
InChIKeyTXJCCMQTNPHMSM-UHFFFAOYSA-N
MW283.80 g/mol
LogP2.27
Rot. Bonds5

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

2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(3-propylpyrrolidin-3-yl)ethanone (PubChem CID 116570580) 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-(3-propylpyrrolidin-3-yl)ethanone.

Molecular Properties

Compound Name2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(3-propylpyrrolidin-3-yl)ethanone
PubChem CID116570580
Molecular FormulaC14H22ClN3O
Molecular Weight283.80 g/mol
Exact Mass283.15
IUPAC Name2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(3-propylpyrrolidin-3-yl)ethanone
SMILESCCCC1(C(=O)Cc2c(C)nn(C)c2Cl)CCNC1
InChIInChI=1S/C14H22ClN3O/c1-4-5-14(6-7-16-9-14)12(19)8-11-10(2)17-18(3)13(11)15/h16H,4-9H2,1-3H3
InChIKeyTXJCCMQTNPHMSM-UHFFFAOYSA-N
XLogP2.27
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 ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(3-propylpiperidin-3-yl)ethanone
CID 116569815
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-(dimethylamino)cyclopentyl]ethanone
CID 113470131
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-(1-methyltriazol-4-yl)-1-(3-propylpyrrolidin-3-yl)ethanone
CID 107062032
4-propyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine-4-carboxamide
CID 79231351
2-(2,6-dimethylphenyl)-1-(3-propylpiperidin-3-yl)ethanone
CID 116569699
1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-3-propylpiperidine-3-carboxylic acid
CID 63141119
2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(1-ethoxy-4-methylcyclohexyl)ethanone
CID 116749459
1-(3-aminooxolan-3-yl)-2-(5-chloro-1,3-dimethylpyrazol-4-yl)ethanone
CID 116579569
2-(2,6-dichlorophenyl)-1-(4-propylpiperidin-4-yl)ethanone
CID 116569084

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(3-propylpyrrolidin-3-yl)ethanone?
The IUPAC name of 2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(3-propylpyrrolidin-3-yl)ethanone (CID 116570580) is 2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(3-propylpyrrolidin-3-yl)ethanone.
What is the SMILES notation for 2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(3-propylpyrrolidin-3-yl)ethanone?
The canonical SMILES for 2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(3-propylpyrrolidin-3-yl)ethanone is CCCC1(C(=O)Cc2c(C)nn(C)c2Cl)CCNC1.
What is the InChIKey of 2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(3-propylpyrrolidin-3-yl)ethanone?
The InChIKey is TXJCCMQTNPHMSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN3O/c1-4-5-14(6-7-16-9-14)12(19)8-11-10(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-(3-propylpyrrolidin-3-yl)ethanone?
2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(3-propylpyrrolidin-3-yl)ethanone has a molecular weight of 283.80 g/mol, XLogP of 2.27, 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-(3-propylpyrrolidin-3-yl)ethanone is sourced from PubChem (CID 116570580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).