[1-(4-methylphenyl)-5-piperidin-4-ylpyrazol-4-yl]-(4-phenylpiperazin-1-yl)methanone;hydrochloride

C26H32ClN5O — CID 146059766

IUPAC[1-(4-methylphenyl)-5-piperidin-4-ylpyrazol-4-yl]-(4-phenylpiperazin-1-yl)methanone;hydrochloride
SMILESCc1ccc(-n2ncc(C(=O)N3CCN(c4ccccc4)CC3)c2C2CCNCC2)cc1.Cl
InChIInChI=1S/C26H31N5O.ClH/c1-20-7-9-23(10-8-20)31-25(21-11-13-27-14-12-21)24(19-28-31)26(32)30-17-15-29(16-18-30)22-5-3-2-4-6-22;/h2-10,19,21,27H,11-18H2,1H3;1H
InChIKeyNPBSEXZCVXQRSN-UHFFFAOYSA-N
MW466.03 g/mol
LogP4.03
Rot. Bonds4

About [1-(4-methylphenyl)-5-piperidin-4-ylpyrazol-4-yl]-(4-phenylpiperazin-1-yl)methanone;hydrochloride

[1-(4-methylphenyl)-5-piperidin-4-ylpyrazol-4-yl]-(4-phenylpiperazin-1-yl)methanone;hydrochloride (PubChem CID 146059766) has the molecular formula C26H32ClN5O and a molecular weight of 466.03 g/mol. Its IUPAC name is [1-(4-methylphenyl)-5-piperidin-4-ylpyrazol-4-yl]-(4-phenylpiperazin-1-yl)methanone;hydrochloride.

Molecular Properties

Compound Name[1-(4-methylphenyl)-5-piperidin-4-ylpyrazol-4-yl]-(4-phenylpiperazin-1-yl)methanone;hydrochloride
PubChem CID146059766
Molecular FormulaC26H32ClN5O
Molecular Weight466.03 g/mol
Exact Mass465.23
IUPAC Name[1-(4-methylphenyl)-5-piperidin-4-ylpyrazol-4-yl]-(4-phenylpiperazin-1-yl)methanone;hydrochloride
SMILESCc1ccc(-n2ncc(C(=O)N3CCN(c4ccccc4)CC3)c2C2CCNCC2)cc1.Cl
InChIInChI=1S/C26H31N5O.ClH/c1-20-7-9-23(10-8-20)31-25(21-11-13-27-14-12-21)24(19-28-31)26(32)30-17-15-29(16-18-30)22-5-3-2-4-6-22;/h2-10,19,21,27H,11-18H2,1H3;1H
InChIKeyNPBSEXZCVXQRSN-UHFFFAOYSA-N
XLogP4.03
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.03
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(4-methylphenyl)-5-piperidin-4-ylpyrazol-4-yl]-(4-phenylpiperazin-1-yl)methanone
CID 20953845
[4-(4-nitrophenyl)piperazin-1-yl]-(1-phenyl-5-piperidin-4-ylpyrazol-4-yl)methanone;hydrochloride
CID 146053307
1-(4-methylphenyl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]-5-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride
CID 146053080
1-(4-methylphenyl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]-5-piperidin-4-ylpyrazole-4-carboxamide
CID 20918588
[4-(3-chlorophenyl)piperazin-1-yl]-[1-(4-chlorophenyl)-5-piperidin-4-ylpyrazol-4-yl]methanone
CID 20918581
[4-(2,4-dimethylphenyl)piperazin-1-yl]-[1-(4-fluorophenyl)-5-piperidin-4-ylpyrazol-4-yl]methanone
CID 20924227
[4-(3-chlorophenyl)piperazin-1-yl]-[1-(4-methoxyphenyl)-5-piperidin-4-ylpyrazol-4-yl]methanone
CID 20924097
[1-(3-fluorophenyl)-5-piperidin-4-ylpyrazol-4-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 20924189
(5-cyclopropyl-1-phenylpyrazol-4-yl)-piperidin-1-ylmethanone
CID 39992588
(4-methylpiperazin-1-yl)-[1-(4-nitrophenyl)-5-piperidin-4-ylpyrazol-4-yl]methanone
CID 46280255
[1-(2-chlorophenyl)-5-piperidin-4-ylpyrazol-4-yl]-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone;hydrochloride
CID 146053322
N-(2-ethylphenyl)-1-(4-methylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride
CID 146051701

Frequently Asked Questions

What is the IUPAC name of [1-(4-methylphenyl)-5-piperidin-4-ylpyrazol-4-yl]-(4-phenylpiperazin-1-yl)methanone;hydrochloride?
The IUPAC name of [1-(4-methylphenyl)-5-piperidin-4-ylpyrazol-4-yl]-(4-phenylpiperazin-1-yl)methanone;hydrochloride (CID 146059766) is [1-(4-methylphenyl)-5-piperidin-4-ylpyrazol-4-yl]-(4-phenylpiperazin-1-yl)methanone;hydrochloride.
What is the SMILES notation for [1-(4-methylphenyl)-5-piperidin-4-ylpyrazol-4-yl]-(4-phenylpiperazin-1-yl)methanone;hydrochloride?
The canonical SMILES for [1-(4-methylphenyl)-5-piperidin-4-ylpyrazol-4-yl]-(4-phenylpiperazin-1-yl)methanone;hydrochloride is Cc1ccc(-n2ncc(C(=O)N3CCN(c4ccccc4)CC3)c2C2CCNCC2)cc1.Cl.
What is the InChIKey of [1-(4-methylphenyl)-5-piperidin-4-ylpyrazol-4-yl]-(4-phenylpiperazin-1-yl)methanone;hydrochloride?
The InChIKey is NPBSEXZCVXQRSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N5O.ClH/c1-20-7-9-23(10-8-20)31-25(21-11-13-27-14-12-21)24(19-28-31)26(32)30-17-15-29(16-18-30)22-5-3-2-4-6-22;/h2-10,19,21,27H,11-18H2,1H3;1H.
What are the key properties of [1-(4-methylphenyl)-5-piperidin-4-ylpyrazol-4-yl]-(4-phenylpiperazin-1-yl)methanone;hydrochloride?
[1-(4-methylphenyl)-5-piperidin-4-ylpyrazol-4-yl]-(4-phenylpiperazin-1-yl)methanone;hydrochloride has a molecular weight of 466.03 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-methylphenyl)-5-piperidin-4-ylpyrazol-4-yl]-(4-phenylpiperazin-1-yl)methanone;hydrochloride is sourced from PubChem (CID 146059766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).