[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-(5-piperidin-4-yl-1H-pyrazol-4-yl)methanone;hydrochloride

C20H27Cl2N5O — CID 146048634

IUPAC[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-(5-piperidin-4-yl-1H-pyrazol-4-yl)methanone;hydrochloride
SMILESCc1ccc(Cl)cc1N1CCN(C(=O)c2cn[nH]c2C2CCNCC2)CC1.Cl
InChIInChI=1S/C20H26ClN5O.ClH/c1-14-2-3-16(21)12-18(14)25-8-10-26(11-9-25)20(27)17-13-23-24-19(17)15-4-6-22-7-5-15;/h2-3,12-13,15,22H,4-11H2,1H3,(H,23,24);1H
InChIKeyVXHGFCQMXYEMMO-UHFFFAOYSA-N
MW424.38 g/mol
LogP3.22
Rot. Bonds3

About [4-(5-chloro-2-methylphenyl)piperazin-1-yl]-(5-piperidin-4-yl-1H-pyrazol-4-yl)methanone;hydrochloride

[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-(5-piperidin-4-yl-1H-pyrazol-4-yl)methanone;hydrochloride (PubChem CID 146048634) has the molecular formula C20H27Cl2N5O and a molecular weight of 424.38 g/mol. Its IUPAC name is [4-(5-chloro-2-methylphenyl)piperazin-1-yl]-(5-piperidin-4-yl-1H-pyrazol-4-yl)methanone;hydrochloride.

Molecular Properties

Compound Name[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-(5-piperidin-4-yl-1H-pyrazol-4-yl)methanone;hydrochloride
PubChem CID146048634
Molecular FormulaC20H27Cl2N5O
Molecular Weight424.38 g/mol
Exact Mass423.16
IUPAC Name[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-(5-piperidin-4-yl-1H-pyrazol-4-yl)methanone;hydrochloride
SMILESCc1ccc(Cl)cc1N1CCN(C(=O)c2cn[nH]c2C2CCNCC2)CC1.Cl
InChIInChI=1S/C20H26ClN5O.ClH/c1-14-2-3-16(21)12-18(14)25-8-10-26(11-9-25)20(27)17-13-23-24-19(17)15-4-6-22-7-5-15;/h2-3,12-13,15,22H,4-11H2,1H3,(H,23,24);1H
InChIKeyVXHGFCQMXYEMMO-UHFFFAOYSA-N
XLogP3.22
TPSA64.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.38
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-(5-piperidin-4-yl-1H-pyrazol-4-yl)methanone
CID 20918599
(4-methylpiperazin-1-yl)-(5-piperidin-4-yl-1H-pyrazol-4-yl)methanone
CID 46278483
[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-(5-thiophen-2-yl-1H-pyrazol-4-yl)methanone
CID 71824781
(5-amino-2-methylphenyl)-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methanone;dihydrochloride
CID 120639560
1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-piperidin-4-ylbutan-1-one;dihydrochloride
CID 119829102
[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone;hydrochloride
CID 120631405
1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]ethanone
CID 1081002
[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-[(3S,4R)-4-(4-fluorophenyl)piperidin-3-yl]methanone;hydrochloride
CID 68729570
1-(5-chloro-2-methylphenyl)piperazine
CID 693767
[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-(1-methylpiperidin-4-yl)methanone
CID 99817362
[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-(2-methoxyphenyl)methanone
CID 967184
[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-(3-chlorophenyl)methanone
CID 4558593

Frequently Asked Questions

What is the IUPAC name of [4-(5-chloro-2-methylphenyl)piperazin-1-yl]-(5-piperidin-4-yl-1H-pyrazol-4-yl)methanone;hydrochloride?
The IUPAC name of [4-(5-chloro-2-methylphenyl)piperazin-1-yl]-(5-piperidin-4-yl-1H-pyrazol-4-yl)methanone;hydrochloride (CID 146048634) is [4-(5-chloro-2-methylphenyl)piperazin-1-yl]-(5-piperidin-4-yl-1H-pyrazol-4-yl)methanone;hydrochloride.
What is the SMILES notation for [4-(5-chloro-2-methylphenyl)piperazin-1-yl]-(5-piperidin-4-yl-1H-pyrazol-4-yl)methanone;hydrochloride?
The canonical SMILES for [4-(5-chloro-2-methylphenyl)piperazin-1-yl]-(5-piperidin-4-yl-1H-pyrazol-4-yl)methanone;hydrochloride is Cc1ccc(Cl)cc1N1CCN(C(=O)c2cn[nH]c2C2CCNCC2)CC1.Cl.
What is the InChIKey of [4-(5-chloro-2-methylphenyl)piperazin-1-yl]-(5-piperidin-4-yl-1H-pyrazol-4-yl)methanone;hydrochloride?
The InChIKey is VXHGFCQMXYEMMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26ClN5O.ClH/c1-14-2-3-16(21)12-18(14)25-8-10-26(11-9-25)20(27)17-13-23-24-19(17)15-4-6-22-7-5-15;/h2-3,12-13,15,22H,4-11H2,1H3,(H,23,24);1H.
What are the key properties of [4-(5-chloro-2-methylphenyl)piperazin-1-yl]-(5-piperidin-4-yl-1H-pyrazol-4-yl)methanone;hydrochloride?
[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-(5-piperidin-4-yl-1H-pyrazol-4-yl)methanone;hydrochloride has a molecular weight of 424.38 g/mol, XLogP of 3.22, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-chloro-2-methylphenyl)piperazin-1-yl]-(5-piperidin-4-yl-1H-pyrazol-4-yl)methanone;hydrochloride is sourced from PubChem (CID 146048634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).