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

C19H19ClN4OS — CID 71824781

IUPAC[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-(5-thiophen-2-yl-1H-pyrazol-4-yl)methanone
SMILESCc1ccc(Cl)cc1N1CCN(C(=O)c2cn[nH]c2-c2cccs2)CC1
InChIInChI=1S/C19H19ClN4OS/c1-13-4-5-14(20)11-16(13)23-6-8-24(9-7-23)19(25)15-12-21-22-18(15)17-3-2-10-26-17/h2-5,10-12H,6-9H2,1H3,(H,21,22)
InChIKeyAPBIOTYHVKUHCK-UHFFFAOYSA-N
MW386.91 g/mol
LogP4.06
Rot. Bonds3

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

[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-(5-thiophen-2-yl-1H-pyrazol-4-yl)methanone (PubChem CID 71824781) has the molecular formula C19H19ClN4OS and a molecular weight of 386.91 g/mol. Its IUPAC name is [4-(5-chloro-2-methylphenyl)piperazin-1-yl]-(5-thiophen-2-yl-1H-pyrazol-4-yl)methanone.

Molecular Properties

Compound Name[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-(5-thiophen-2-yl-1H-pyrazol-4-yl)methanone
PubChem CID71824781
Molecular FormulaC19H19ClN4OS
Molecular Weight386.91 g/mol
Exact Mass386.10
IUPAC Name[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-(5-thiophen-2-yl-1H-pyrazol-4-yl)methanone
SMILESCc1ccc(Cl)cc1N1CCN(C(=O)c2cn[nH]c2-c2cccs2)CC1
InChIInChI=1S/C19H19ClN4OS/c1-13-4-5-14(20)11-16(13)23-6-8-24(9-7-23)19(25)15-12-21-22-18(15)17-3-2-10-26-17/h2-5,10-12H,6-9H2,1H3,(H,21,22)
InChIKeyAPBIOTYHVKUHCK-UHFFFAOYSA-N
XLogP4.06
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.91
LogP ≤ 54.06
H-Bond Donors ≤ 51
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-(5-chloro-2-methylphenyl)piperazin-1-yl]-(5-piperidin-4-yl-1H-pyrazol-4-yl)methanone;hydrochloride
CID 146048634
(3S)-1-(5-thiophen-2-yl-1H-pyrazole-4-carbonyl)pyrrolidine-3-carboxylic acid
CID 126444333
(8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl)-(5-thiophen-2-yl-1H-pyrazol-4-yl)methanone
CID 50978348
[4-(3-chlorophenyl)piperazin-1-yl]-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methanone
CID 16596749
(4-chloro-2-methoxyphenyl)-[4-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperazin-1-yl]methanone
CID 75527424
[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-(2-methoxyphenyl)methanone
CID 967184
1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]ethanone
CID 1081002
[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-(3-chlorophenyl)methanone
CID 4558593
(5-amino-2-methylphenyl)-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methanone;dihydrochloride
CID 120639560
[4-(2-methylphenyl)piperazin-1-yl]-(5-thiophen-2-yl-1H-pyrazol-3-yl)methanone
CID 46856970
[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-(2-chloro-3-nitrophenyl)methanone
CID 162672041

Frequently Asked Questions

What is the IUPAC name of [4-(5-chloro-2-methylphenyl)piperazin-1-yl]-(5-thiophen-2-yl-1H-pyrazol-4-yl)methanone?
The IUPAC name of [4-(5-chloro-2-methylphenyl)piperazin-1-yl]-(5-thiophen-2-yl-1H-pyrazol-4-yl)methanone (CID 71824781) is [4-(5-chloro-2-methylphenyl)piperazin-1-yl]-(5-thiophen-2-yl-1H-pyrazol-4-yl)methanone.
What is the SMILES notation for [4-(5-chloro-2-methylphenyl)piperazin-1-yl]-(5-thiophen-2-yl-1H-pyrazol-4-yl)methanone?
The canonical SMILES for [4-(5-chloro-2-methylphenyl)piperazin-1-yl]-(5-thiophen-2-yl-1H-pyrazol-4-yl)methanone is Cc1ccc(Cl)cc1N1CCN(C(=O)c2cn[nH]c2-c2cccs2)CC1.
What is the InChIKey of [4-(5-chloro-2-methylphenyl)piperazin-1-yl]-(5-thiophen-2-yl-1H-pyrazol-4-yl)methanone?
The InChIKey is APBIOTYHVKUHCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN4OS/c1-13-4-5-14(20)11-16(13)23-6-8-24(9-7-23)19(25)15-12-21-22-18(15)17-3-2-10-26-17/h2-5,10-12H,6-9H2,1H3,(H,21,22).
What are the key properties of [4-(5-chloro-2-methylphenyl)piperazin-1-yl]-(5-thiophen-2-yl-1H-pyrazol-4-yl)methanone?
[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-(5-thiophen-2-yl-1H-pyrazol-4-yl)methanone has a molecular weight of 386.91 g/mol, XLogP of 4.06, 3 rotatable bonds, 1 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-thiophen-2-yl-1H-pyrazol-4-yl)methanone is sourced from PubChem (CID 71824781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).