4-(3-piperazin-1-ylphenyl)-N-(2-pyrazol-1-ylethyl)benzamide;hydrochloride

C22H26ClN5O — CID 154909185

IUPAC4-(3-piperazin-1-ylphenyl)-N-(2-pyrazol-1-ylethyl)benzamide;hydrochloride
SMILESCl.O=C(NCCn1cccn1)c1ccc(-c2cccc(N3CCNCC3)c2)cc1
InChIInChI=1S/C22H25N5O.ClH/c28-22(24-12-16-27-13-2-9-25-27)19-7-5-18(6-8-19)20-3-1-4-21(17-20)26-14-10-23-11-15-26;/h1-9,13,17,23H,10-12,14-16H2,(H,24,28);1H
InChIKeyZZVZRXGDSSWWAZ-UHFFFAOYSA-N
MW411.94 g/mol
LogP2.81
Rot. Bonds6

About 4-(3-piperazin-1-ylphenyl)-N-(2-pyrazol-1-ylethyl)benzamide;hydrochloride

4-(3-piperazin-1-ylphenyl)-N-(2-pyrazol-1-ylethyl)benzamide;hydrochloride (PubChem CID 154909185) has the molecular formula C22H26ClN5O and a molecular weight of 411.94 g/mol. Its IUPAC name is 4-(3-piperazin-1-ylphenyl)-N-(2-pyrazol-1-ylethyl)benzamide;hydrochloride.

Molecular Properties

Compound Name4-(3-piperazin-1-ylphenyl)-N-(2-pyrazol-1-ylethyl)benzamide;hydrochloride
PubChem CID154909185
Molecular FormulaC22H26ClN5O
Molecular Weight411.94 g/mol
Exact Mass411.18
IUPAC Name4-(3-piperazin-1-ylphenyl)-N-(2-pyrazol-1-ylethyl)benzamide;hydrochloride
SMILESCl.O=C(NCCn1cccn1)c1ccc(-c2cccc(N3CCNCC3)c2)cc1
InChIInChI=1S/C22H25N5O.ClH/c28-22(24-12-16-27-13-2-9-25-27)19-7-5-18(6-8-19)20-3-1-4-21(17-20)26-14-10-23-11-15-26;/h1-9,13,17,23H,10-12,14-16H2,(H,24,28);1H
InChIKeyZZVZRXGDSSWWAZ-UHFFFAOYSA-N
XLogP2.81
TPSA62.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.94
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(3-piperazin-1-ylphenyl)-N-(2-pyrazol-1-ylethyl)benzamide;hydrochloride?
The IUPAC name of 4-(3-piperazin-1-ylphenyl)-N-(2-pyrazol-1-ylethyl)benzamide;hydrochloride (CID 154909185) is 4-(3-piperazin-1-ylphenyl)-N-(2-pyrazol-1-ylethyl)benzamide;hydrochloride.
What is the SMILES notation for 4-(3-piperazin-1-ylphenyl)-N-(2-pyrazol-1-ylethyl)benzamide;hydrochloride?
The canonical SMILES for 4-(3-piperazin-1-ylphenyl)-N-(2-pyrazol-1-ylethyl)benzamide;hydrochloride is Cl.O=C(NCCn1cccn1)c1ccc(-c2cccc(N3CCNCC3)c2)cc1.
What is the InChIKey of 4-(3-piperazin-1-ylphenyl)-N-(2-pyrazol-1-ylethyl)benzamide;hydrochloride?
The InChIKey is ZZVZRXGDSSWWAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O.ClH/c28-22(24-12-16-27-13-2-9-25-27)19-7-5-18(6-8-19)20-3-1-4-21(17-20)26-14-10-23-11-15-26;/h1-9,13,17,23H,10-12,14-16H2,(H,24,28);1H.
What are the key properties of 4-(3-piperazin-1-ylphenyl)-N-(2-pyrazol-1-ylethyl)benzamide;hydrochloride?
4-(3-piperazin-1-ylphenyl)-N-(2-pyrazol-1-ylethyl)benzamide;hydrochloride has a molecular weight of 411.94 g/mol, XLogP of 2.81, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-piperazin-1-ylphenyl)-N-(2-pyrazol-1-ylethyl)benzamide;hydrochloride is sourced from PubChem (CID 154909185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).