3-[4-(3-chlorophenyl)piperazin-1-yl]-N-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide

C18H24ClN5O — CID 167807980

IUPAC3-[4-(3-chlorophenyl)piperazin-1-yl]-N-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide
SMILESCc1n[nH]c(C)c1NC(=O)CCN1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C18H24ClN5O/c1-13-18(14(2)22-21-13)20-17(25)6-7-23-8-10-24(11-9-23)16-5-3-4-15(19)12-16/h3-5,12H,6-11H2,1-2H3,(H,20,25)(H,21,22)
InChIKeySSJINOKBICZDTG-UHFFFAOYSA-N
MW361.88 g/mol
LogP2.83
Rot. Bonds5

About 3-[4-(3-chlorophenyl)piperazin-1-yl]-N-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide

3-[4-(3-chlorophenyl)piperazin-1-yl]-N-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide (PubChem CID 167807980) has the molecular formula C18H24ClN5O and a molecular weight of 361.88 g/mol. Its IUPAC name is 3-[4-(3-chlorophenyl)piperazin-1-yl]-N-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide.

Molecular Properties

Compound Name3-[4-(3-chlorophenyl)piperazin-1-yl]-N-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide
PubChem CID167807980
Molecular FormulaC18H24ClN5O
Molecular Weight361.88 g/mol
Exact Mass361.17
IUPAC Name3-[4-(3-chlorophenyl)piperazin-1-yl]-N-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide
SMILESCc1n[nH]c(C)c1NC(=O)CCN1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C18H24ClN5O/c1-13-18(14(2)22-21-13)20-17(25)6-7-23-8-10-24(11-9-23)16-5-3-4-15(19)12-16/h3-5,12H,6-11H2,1-2H3,(H,20,25)(H,21,22)
InChIKeySSJINOKBICZDTG-UHFFFAOYSA-N
XLogP2.83
TPSA64.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.88
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[4-(3-chlorophenyl)piperazin-1-yl]-N-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide 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

N-(3-chlorophenyl)-3-(4-phenylpiperazin-1-yl)propanamide;hydrochloride
CID 19661841
N-(4-chloro-2-methylphenyl)-3-(4-phenylpiperazin-1-yl)propanamide
CID 109027177
N-(4-chlorophenyl)-3-[4-(3-methylphenyl)piperazin-1-yl]propanamide
CID 60504794
N-(2-tert-butylphenyl)-3-[4-(3-chlorophenyl)piperazin-1-yl]propanamide
CID 109029785
N-(3,4-dichlorophenyl)-3-[4-(3-methylphenyl)piperazin-1-yl]propanamide
CID 109029431
3-[4-(4-chlorophenyl)piperazin-1-yl]-N-(3-methylphenyl)propanamide
CID 42858886
N-(2,4-dichlorophenyl)-3-(4-phenylpiperazin-1-yl)propanamide
CID 109027205
3-[4-(4-chlorophenyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 729690
N-(4-methylphenyl)-3-(4-phenylpiperazin-1-yl)propanamide;hydrochloride
CID 19661863
N-(5-methyl-1,2-oxazol-3-yl)-3-(4-phenylpiperazin-1-yl)propanamide
CID 707006
N-(5-methyl-1,2-oxazol-3-yl)-3-[4-(3-methylphenyl)piperazin-1-yl]propanamide
CID 35799420
N-(3-chloro-2-methylphenyl)-3-(4-phenylpiperazin-1-yl)propanamide;oxalic acid
CID 171154325

Frequently Asked Questions

What is the IUPAC name of 3-[4-(3-chlorophenyl)piperazin-1-yl]-N-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide?
The IUPAC name of 3-[4-(3-chlorophenyl)piperazin-1-yl]-N-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide (CID 167807980) is 3-[4-(3-chlorophenyl)piperazin-1-yl]-N-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide.
What is the SMILES notation for 3-[4-(3-chlorophenyl)piperazin-1-yl]-N-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide?
The canonical SMILES for 3-[4-(3-chlorophenyl)piperazin-1-yl]-N-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide is Cc1n[nH]c(C)c1NC(=O)CCN1CCN(c2cccc(Cl)c2)CC1.
What is the InChIKey of 3-[4-(3-chlorophenyl)piperazin-1-yl]-N-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide?
The InChIKey is SSJINOKBICZDTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClN5O/c1-13-18(14(2)22-21-13)20-17(25)6-7-23-8-10-24(11-9-23)16-5-3-4-15(19)12-16/h3-5,12H,6-11H2,1-2H3,(H,20,25)(H,21,22).
What are the key properties of 3-[4-(3-chlorophenyl)piperazin-1-yl]-N-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide?
3-[4-(3-chlorophenyl)piperazin-1-yl]-N-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide has a molecular weight of 361.88 g/mol, XLogP of 2.83, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3-chlorophenyl)piperazin-1-yl]-N-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide is sourced from PubChem (CID 167807980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).