(4-chloro-2-methoxyphenyl)-[4-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperazin-1-yl]methanone

C19H19ClN4O2S — CID 75527424

IUPAC(4-chloro-2-methoxyphenyl)-[4-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperazin-1-yl]methanone
SMILESCOc1cc(Cl)ccc1C(=O)N1CCN(c2cc(-c3cccs3)[nH]n2)CC1
InChIInChI=1S/C19H19ClN4O2S/c1-26-16-11-13(20)4-5-14(16)19(25)24-8-6-23(7-9-24)18-12-15(21-22-18)17-3-2-10-27-17/h2-5,10-12H,6-9H2,1H3,(H,21,22)
InChIKeyGFDXKVSKXQCTGG-UHFFFAOYSA-N
MW402.91 g/mol
LogP3.76
Rot. Bonds4

About (4-chloro-2-methoxyphenyl)-[4-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperazin-1-yl]methanone

(4-chloro-2-methoxyphenyl)-[4-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperazin-1-yl]methanone (PubChem CID 75527424) has the molecular formula C19H19ClN4O2S and a molecular weight of 402.91 g/mol. Its IUPAC name is (4-chloro-2-methoxyphenyl)-[4-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-chloro-2-methoxyphenyl)-[4-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperazin-1-yl]methanone
PubChem CID75527424
Molecular FormulaC19H19ClN4O2S
Molecular Weight402.91 g/mol
Exact Mass402.09
IUPAC Name(4-chloro-2-methoxyphenyl)-[4-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperazin-1-yl]methanone
SMILESCOc1cc(Cl)ccc1C(=O)N1CCN(c2cc(-c3cccs3)[nH]n2)CC1
InChIInChI=1S/C19H19ClN4O2S/c1-26-16-11-13(20)4-5-14(16)19(25)24-8-6-23(7-9-24)18-12-15(21-22-18)17-3-2-10-27-17/h2-5,10-12H,6-9H2,1H3,(H,21,22)
InChIKeyGFDXKVSKXQCTGG-UHFFFAOYSA-N
XLogP3.76
TPSA61.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.91
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4-methoxy-2-methylphenyl)-[4-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperazin-1-yl]methanone
CID 75527408
(3,5-dimethoxyphenyl)-[4-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperazin-1-yl]methanone
CID 75527381
[4-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-1,4-diazepan-1-yl]-(2-methoxyphenyl)methanone
CID 91887616
(1-methylpyrrol-2-yl)-[4-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperazin-1-yl]methanone
CID 91887736
(5-chloro-2-methoxyphenyl)-[4-(5-phenyl-1H-pyrazol-3-yl)-1,4-diazepan-1-yl]methanone
CID 75527188
[4-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-1,4-diazepan-1-yl]-(2,3-dimethoxyphenyl)methanone
CID 91887630
[4-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-1,4-diazepan-1-yl]-thiophen-2-ylmethanone
CID 91887606
[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-(5-thiophen-2-yl-1H-pyrazol-4-yl)methanone
CID 71824781
(4-chloro-2-methoxyphenyl)-[4-(5-ethyl-[1,2,4]triazolo[4,3-a]pyrimidin-7-yl)piperazin-1-yl]methanone
CID 53202651
(4-chloro-2-methoxyphenyl)-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone
CID 71822590
2-(4-ethoxyphenyl)-1-[4-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperazin-1-yl]ethanone
CID 75528053
(3,4-dimethoxyphenyl)-[4-(6-thiophen-2-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 18569372

Frequently Asked Questions

What is the IUPAC name of (4-chloro-2-methoxyphenyl)-[4-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperazin-1-yl]methanone?
The IUPAC name of (4-chloro-2-methoxyphenyl)-[4-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperazin-1-yl]methanone (CID 75527424) is (4-chloro-2-methoxyphenyl)-[4-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperazin-1-yl]methanone.
What is the SMILES notation for (4-chloro-2-methoxyphenyl)-[4-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperazin-1-yl]methanone?
The canonical SMILES for (4-chloro-2-methoxyphenyl)-[4-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperazin-1-yl]methanone is COc1cc(Cl)ccc1C(=O)N1CCN(c2cc(-c3cccs3)[nH]n2)CC1.
What is the InChIKey of (4-chloro-2-methoxyphenyl)-[4-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperazin-1-yl]methanone?
The InChIKey is GFDXKVSKXQCTGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN4O2S/c1-26-16-11-13(20)4-5-14(16)19(25)24-8-6-23(7-9-24)18-12-15(21-22-18)17-3-2-10-27-17/h2-5,10-12H,6-9H2,1H3,(H,21,22).
What are the key properties of (4-chloro-2-methoxyphenyl)-[4-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperazin-1-yl]methanone?
(4-chloro-2-methoxyphenyl)-[4-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperazin-1-yl]methanone has a molecular weight of 402.91 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-2-methoxyphenyl)-[4-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 75527424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).