1-(2,4-dichlorophenyl)-N-piperidin-4-yl-N-propylpyrazole-4-carboxamide;hydrochloride

C18H23Cl3N4O — CID 119826298

IUPAC1-(2,4-dichlorophenyl)-N-piperidin-4-yl-N-propylpyrazole-4-carboxamide;hydrochloride
SMILESCCCN(C(=O)c1cnn(-c2ccc(Cl)cc2Cl)c1)C1CCNCC1.Cl
InChIInChI=1S/C18H22Cl2N4O.ClH/c1-2-9-23(15-5-7-21-8-6-15)18(25)13-11-22-24(12-13)17-4-3-14(19)10-16(17)20;/h3-4,10-12,15,21H,2,5-9H2,1H3;1H
InChIKeyCJZDGYIVMFHUAB-UHFFFAOYSA-N
MW417.77 g/mol
LogP4.21
Rot. Bonds5

About 1-(2,4-dichlorophenyl)-N-piperidin-4-yl-N-propylpyrazole-4-carboxamide;hydrochloride

1-(2,4-dichlorophenyl)-N-piperidin-4-yl-N-propylpyrazole-4-carboxamide;hydrochloride (PubChem CID 119826298) has the molecular formula C18H23Cl3N4O and a molecular weight of 417.77 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-N-piperidin-4-yl-N-propylpyrazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-N-piperidin-4-yl-N-propylpyrazole-4-carboxamide;hydrochloride
PubChem CID119826298
Molecular FormulaC18H23Cl3N4O
Molecular Weight417.77 g/mol
Exact Mass416.09
IUPAC Name1-(2,4-dichlorophenyl)-N-piperidin-4-yl-N-propylpyrazole-4-carboxamide;hydrochloride
SMILESCCCN(C(=O)c1cnn(-c2ccc(Cl)cc2Cl)c1)C1CCNCC1.Cl
InChIInChI=1S/C18H22Cl2N4O.ClH/c1-2-9-23(15-5-7-21-8-6-15)18(25)13-11-22-24(12-13)17-4-3-14(19)10-16(17)20;/h3-4,10-12,15,21H,2,5-9H2,1H3;1H
InChIKeyCJZDGYIVMFHUAB-UHFFFAOYSA-N
XLogP4.21
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.77
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(2,4-dichlorophenyl)-N-piperidin-4-yl-N-propylpyrazole-4-carboxamide;hydrochloride with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-N-piperidin-4-yl-N-propylpyrazole-4-carboxamide;hydrochloride?
The IUPAC name of 1-(2,4-dichlorophenyl)-N-piperidin-4-yl-N-propylpyrazole-4-carboxamide;hydrochloride (CID 119826298) is 1-(2,4-dichlorophenyl)-N-piperidin-4-yl-N-propylpyrazole-4-carboxamide;hydrochloride.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-N-piperidin-4-yl-N-propylpyrazole-4-carboxamide;hydrochloride?
The canonical SMILES for 1-(2,4-dichlorophenyl)-N-piperidin-4-yl-N-propylpyrazole-4-carboxamide;hydrochloride is CCCN(C(=O)c1cnn(-c2ccc(Cl)cc2Cl)c1)C1CCNCC1.Cl.
What is the InChIKey of 1-(2,4-dichlorophenyl)-N-piperidin-4-yl-N-propylpyrazole-4-carboxamide;hydrochloride?
The InChIKey is CJZDGYIVMFHUAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22Cl2N4O.ClH/c1-2-9-23(15-5-7-21-8-6-15)18(25)13-11-22-24(12-13)17-4-3-14(19)10-16(17)20;/h3-4,10-12,15,21H,2,5-9H2,1H3;1H.
What are the key properties of 1-(2,4-dichlorophenyl)-N-piperidin-4-yl-N-propylpyrazole-4-carboxamide;hydrochloride?
1-(2,4-dichlorophenyl)-N-piperidin-4-yl-N-propylpyrazole-4-carboxamide;hydrochloride has a molecular weight of 417.77 g/mol, XLogP of 4.21, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenyl)-N-piperidin-4-yl-N-propylpyrazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 119826298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).