[4-hydroxy-1-(4-propan-2-ylphenyl)pyrazol-3-yl]-[4-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]piperazin-1-yl]methanone

C23H29N5O2S — CID 155951192

IUPAC[4-hydroxy-1-(4-propan-2-ylphenyl)pyrazol-3-yl]-[4-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]piperazin-1-yl]methanone
SMILESCc1cnc(C(C)N2CCN(C(=O)c3nn(-c4ccc(C(C)C)cc4)cc3O)CC2)s1
InChIInChI=1S/C23H29N5O2S/c1-15(2)18-5-7-19(8-6-18)28-14-20(29)21(25-28)23(30)27-11-9-26(10-12-27)17(4)22-24-13-16(3)31-22/h5-8,13-15,17,29H,9-12H2,1-4H3
InChIKeyKPZWJYPHJITYBW-UHFFFAOYSA-N
MW439.59 g/mol
LogP3.99
Rot. Bonds5

About [4-hydroxy-1-(4-propan-2-ylphenyl)pyrazol-3-yl]-[4-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]piperazin-1-yl]methanone

[4-hydroxy-1-(4-propan-2-ylphenyl)pyrazol-3-yl]-[4-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]piperazin-1-yl]methanone (PubChem CID 155951192) has the molecular formula C23H29N5O2S and a molecular weight of 439.59 g/mol. Its IUPAC name is [4-hydroxy-1-(4-propan-2-ylphenyl)pyrazol-3-yl]-[4-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name[4-hydroxy-1-(4-propan-2-ylphenyl)pyrazol-3-yl]-[4-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]piperazin-1-yl]methanone
PubChem CID155951192
Molecular FormulaC23H29N5O2S
Molecular Weight439.59 g/mol
Exact Mass439.20
IUPAC Name[4-hydroxy-1-(4-propan-2-ylphenyl)pyrazol-3-yl]-[4-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]piperazin-1-yl]methanone
SMILESCc1cnc(C(C)N2CCN(C(=O)c3nn(-c4ccc(C(C)C)cc4)cc3O)CC2)s1
InChIInChI=1S/C23H29N5O2S/c1-15(2)18-5-7-19(8-6-18)28-14-20(29)21(25-28)23(30)27-11-9-26(10-12-27)17(4)22-24-13-16(3)31-22/h5-8,13-15,17,29H,9-12H2,1-4H3
InChIKeyKPZWJYPHJITYBW-UHFFFAOYSA-N
XLogP3.99
TPSA74.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.59
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [4-hydroxy-1-(4-propan-2-ylphenyl)pyrazol-3-yl]-[4-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]piperazin-1-yl]methanone?
The IUPAC name of [4-hydroxy-1-(4-propan-2-ylphenyl)pyrazol-3-yl]-[4-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]piperazin-1-yl]methanone (CID 155951192) is [4-hydroxy-1-(4-propan-2-ylphenyl)pyrazol-3-yl]-[4-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]piperazin-1-yl]methanone.
What is the SMILES notation for [4-hydroxy-1-(4-propan-2-ylphenyl)pyrazol-3-yl]-[4-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]piperazin-1-yl]methanone?
The canonical SMILES for [4-hydroxy-1-(4-propan-2-ylphenyl)pyrazol-3-yl]-[4-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]piperazin-1-yl]methanone is Cc1cnc(C(C)N2CCN(C(=O)c3nn(-c4ccc(C(C)C)cc4)cc3O)CC2)s1.
What is the InChIKey of [4-hydroxy-1-(4-propan-2-ylphenyl)pyrazol-3-yl]-[4-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]piperazin-1-yl]methanone?
The InChIKey is KPZWJYPHJITYBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O2S/c1-15(2)18-5-7-19(8-6-18)28-14-20(29)21(25-28)23(30)27-11-9-26(10-12-27)17(4)22-24-13-16(3)31-22/h5-8,13-15,17,29H,9-12H2,1-4H3.
What are the key properties of [4-hydroxy-1-(4-propan-2-ylphenyl)pyrazol-3-yl]-[4-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]piperazin-1-yl]methanone?
[4-hydroxy-1-(4-propan-2-ylphenyl)pyrazol-3-yl]-[4-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]piperazin-1-yl]methanone has a molecular weight of 439.59 g/mol, XLogP of 3.99, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-hydroxy-1-(4-propan-2-ylphenyl)pyrazol-3-yl]-[4-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]piperazin-1-yl]methanone is sourced from PubChem (CID 155951192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).