3-(4-methylpyrazol-1-yl)-1-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]propan-1-one

C15H21N5OS — CID 56817568

IUPAC3-(4-methylpyrazol-1-yl)-1-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]propan-1-one
SMILESCc1cnn(CCC(=O)N2CCN(c3nc(C)cs3)CC2)c1
InChIInChI=1S/C15H21N5OS/c1-12-9-16-20(10-12)4-3-14(21)18-5-7-19(8-6-18)15-17-13(2)11-22-15/h9-11H,3-8H2,1-2H3
InChIKeyMTZHFHPENJNICG-UHFFFAOYSA-N
MW319.43 g/mol
LogP1.70
Rot. Bonds4

About 3-(4-methylpyrazol-1-yl)-1-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]propan-1-one

3-(4-methylpyrazol-1-yl)-1-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]propan-1-one (PubChem CID 56817568) has the molecular formula C15H21N5OS and a molecular weight of 319.43 g/mol. Its IUPAC name is 3-(4-methylpyrazol-1-yl)-1-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(4-methylpyrazol-1-yl)-1-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]propan-1-one
PubChem CID56817568
Molecular FormulaC15H21N5OS
Molecular Weight319.43 g/mol
Exact Mass319.15
IUPAC Name3-(4-methylpyrazol-1-yl)-1-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]propan-1-one
SMILESCc1cnn(CCC(=O)N2CCN(c3nc(C)cs3)CC2)c1
InChIInChI=1S/C15H21N5OS/c1-12-9-16-20(10-12)4-3-14(21)18-5-7-19(8-6-18)15-17-13(2)11-22-15/h9-11H,3-8H2,1-2H3
InChIKeyMTZHFHPENJNICG-UHFFFAOYSA-N
XLogP1.70
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methylpyrazol-1-yl)-1-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]propan-1-one?
The IUPAC name of 3-(4-methylpyrazol-1-yl)-1-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]propan-1-one (CID 56817568) is 3-(4-methylpyrazol-1-yl)-1-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 3-(4-methylpyrazol-1-yl)-1-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 3-(4-methylpyrazol-1-yl)-1-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]propan-1-one is Cc1cnn(CCC(=O)N2CCN(c3nc(C)cs3)CC2)c1.
What is the InChIKey of 3-(4-methylpyrazol-1-yl)-1-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]propan-1-one?
The InChIKey is MTZHFHPENJNICG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5OS/c1-12-9-16-20(10-12)4-3-14(21)18-5-7-19(8-6-18)15-17-13(2)11-22-15/h9-11H,3-8H2,1-2H3.
What are the key properties of 3-(4-methylpyrazol-1-yl)-1-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]propan-1-one?
3-(4-methylpyrazol-1-yl)-1-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]propan-1-one has a molecular weight of 319.43 g/mol, XLogP of 1.70, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylpyrazol-1-yl)-1-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 56817568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).