[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone

C18H18ClN5OS — CID 18139013

IUPAC[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
SMILESO=C(c1cnn(Cc2ccccc2Cl)c1)N1CCN(c2nccs2)CC1
InChIInChI=1S/C18H18ClN5OS/c19-16-4-2-1-3-14(16)12-24-13-15(11-21-24)17(25)22-6-8-23(9-7-22)18-20-5-10-26-18/h1-5,10-11,13H,6-9,12H2
InChIKeyLQHPRTYAZPICCK-UHFFFAOYSA-N
MW387.90 g/mol
LogP3.00
Rot. Bonds4

About [1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone

[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone (PubChem CID 18139013) has the molecular formula C18H18ClN5OS and a molecular weight of 387.90 g/mol. Its IUPAC name is [1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
PubChem CID18139013
Molecular FormulaC18H18ClN5OS
Molecular Weight387.90 g/mol
Exact Mass387.09
IUPAC Name[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
SMILESO=C(c1cnn(Cc2ccccc2Cl)c1)N1CCN(c2nccs2)CC1
InChIInChI=1S/C18H18ClN5OS/c19-16-4-2-1-3-14(16)12-24-13-15(11-21-24)17(25)22-6-8-23(9-7-22)18-20-5-10-26-18/h1-5,10-11,13H,6-9,12H2
InChIKeyLQHPRTYAZPICCK-UHFFFAOYSA-N
XLogP3.00
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.90
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone?
The IUPAC name of [1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone (CID 18139013) is [1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone.
What is the SMILES notation for [1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone?
The canonical SMILES for [1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone is O=C(c1cnn(Cc2ccccc2Cl)c1)N1CCN(c2nccs2)CC1.
What is the InChIKey of [1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone?
The InChIKey is LQHPRTYAZPICCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN5OS/c19-16-4-2-1-3-14(16)12-24-13-15(11-21-24)17(25)22-6-8-23(9-7-22)18-20-5-10-26-18/h1-5,10-11,13H,6-9,12H2.
What are the key properties of [1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone?
[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone has a molecular weight of 387.90 g/mol, XLogP of 3.00, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 18139013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).