1-(2,4-dichlorophenyl)-N-(2-piperidin-3-ylethyl)pyrazole-4-carboxamide;hydrochloride

C17H21Cl3N4O — CID 119559418

IUPAC1-(2,4-dichlorophenyl)-N-(2-piperidin-3-ylethyl)pyrazole-4-carboxamide;hydrochloride
SMILESCl.O=C(NCCC1CCCNC1)c1cnn(-c2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C17H20Cl2N4O.ClH/c18-14-3-4-16(15(19)8-14)23-11-13(10-22-23)17(24)21-7-5-12-2-1-6-20-9-12;/h3-4,8,10-12,20H,1-2,5-7,9H2,(H,21,24);1H
InChIKeyWWHPKKHFIYQKOO-UHFFFAOYSA-N
MW403.74 g/mol
LogP3.72
Rot. Bonds5

About 1-(2,4-dichlorophenyl)-N-(2-piperidin-3-ylethyl)pyrazole-4-carboxamide;hydrochloride

1-(2,4-dichlorophenyl)-N-(2-piperidin-3-ylethyl)pyrazole-4-carboxamide;hydrochloride (PubChem CID 119559418) has the molecular formula C17H21Cl3N4O and a molecular weight of 403.74 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-N-(2-piperidin-3-ylethyl)pyrazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-N-(2-piperidin-3-ylethyl)pyrazole-4-carboxamide;hydrochloride
PubChem CID119559418
Molecular FormulaC17H21Cl3N4O
Molecular Weight403.74 g/mol
Exact Mass402.08
IUPAC Name1-(2,4-dichlorophenyl)-N-(2-piperidin-3-ylethyl)pyrazole-4-carboxamide;hydrochloride
SMILESCl.O=C(NCCC1CCCNC1)c1cnn(-c2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C17H20Cl2N4O.ClH/c18-14-3-4-16(15(19)8-14)23-11-13(10-22-23)17(24)21-7-5-12-2-1-6-20-9-12;/h3-4,8,10-12,20H,1-2,5-7,9H2,(H,21,24);1H
InChIKeyWWHPKKHFIYQKOO-UHFFFAOYSA-N
XLogP3.72
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.74
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,4-dichlorophenyl)-N-(pyrrolidin-2-ylmethyl)pyrazole-4-carboxamide;hydrochloride
CID 119514691
1-(2,4-dichlorophenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]pyrazole-4-carboxamide;hydrochloride
CID 120947316
1-ethyl-N-(2-piperidin-3-ylethyl)pyrazole-4-carboxamide
CID 119556637
3-chloro-N-(2-piperidin-3-ylethyl)benzamide
CID 63628186
4-chloro-3-fluoro-N-(2-piperidin-3-ylethyl)benzamide
CID 107990343
4-iodo-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119554925
1-(2,4-dichlorophenyl)-N-methyl-N-pyrrolidin-3-ylpyrazole-4-carboxamide
CID 119554673
3-bromo-4-chloro-N-(2-piperidin-3-ylethyl)benzamide
CID 107990344
4-chloro-N-[4-oxo-4-(2-piperidin-3-ylethylamino)butyl]benzamide;hydrochloride
CID 119557355
N-(2-amino-2-methylpropyl)-1-(2,4-dichlorophenyl)pyrazole-4-carboxamide
CID 119630624
3-chloro-N-(2-piperidin-3-ylethyl)pyridine-4-carboxamide;dihydrochloride
CID 119557407
3-iodo-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119555518

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-N-(2-piperidin-3-ylethyl)pyrazole-4-carboxamide;hydrochloride?
The IUPAC name of 1-(2,4-dichlorophenyl)-N-(2-piperidin-3-ylethyl)pyrazole-4-carboxamide;hydrochloride (CID 119559418) is 1-(2,4-dichlorophenyl)-N-(2-piperidin-3-ylethyl)pyrazole-4-carboxamide;hydrochloride.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-N-(2-piperidin-3-ylethyl)pyrazole-4-carboxamide;hydrochloride?
The canonical SMILES for 1-(2,4-dichlorophenyl)-N-(2-piperidin-3-ylethyl)pyrazole-4-carboxamide;hydrochloride is Cl.O=C(NCCC1CCCNC1)c1cnn(-c2ccc(Cl)cc2Cl)c1.
What is the InChIKey of 1-(2,4-dichlorophenyl)-N-(2-piperidin-3-ylethyl)pyrazole-4-carboxamide;hydrochloride?
The InChIKey is WWHPKKHFIYQKOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20Cl2N4O.ClH/c18-14-3-4-16(15(19)8-14)23-11-13(10-22-23)17(24)21-7-5-12-2-1-6-20-9-12;/h3-4,8,10-12,20H,1-2,5-7,9H2,(H,21,24);1H.
What are the key properties of 1-(2,4-dichlorophenyl)-N-(2-piperidin-3-ylethyl)pyrazole-4-carboxamide;hydrochloride?
1-(2,4-dichlorophenyl)-N-(2-piperidin-3-ylethyl)pyrazole-4-carboxamide;hydrochloride has a molecular weight of 403.74 g/mol, XLogP of 3.72, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenyl)-N-(2-piperidin-3-ylethyl)pyrazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 119559418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).