methyl 5-methyl-1-[(2-piperidin-1-yl-1,3-thiazol-4-yl)methyl]pyrazole-3-carboxylate

C15H20N4O2S — CID 142463647

IUPACmethyl 5-methyl-1-[(2-piperidin-1-yl-1,3-thiazol-4-yl)methyl]pyrazole-3-carboxylate
SMILESCOC(=O)c1cc(C)n(Cc2csc(N3CCCCC3)n2)n1
InChIInChI=1S/C15H20N4O2S/c1-11-8-13(14(20)21-2)17-19(11)9-12-10-22-15(16-12)18-6-4-3-5-7-18/h8,10H,3-7,9H2,1-2H3
InChIKeyJXHHKAKJYCGRPB-UHFFFAOYSA-N
MW320.42 g/mol
LogP2.47
Rot. Bonds4

About methyl 5-methyl-1-[(2-piperidin-1-yl-1,3-thiazol-4-yl)methyl]pyrazole-3-carboxylate

methyl 5-methyl-1-[(2-piperidin-1-yl-1,3-thiazol-4-yl)methyl]pyrazole-3-carboxylate (PubChem CID 142463647) has the molecular formula C15H20N4O2S and a molecular weight of 320.42 g/mol. Its IUPAC name is methyl 5-methyl-1-[(2-piperidin-1-yl-1,3-thiazol-4-yl)methyl]pyrazole-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-methyl-1-[(2-piperidin-1-yl-1,3-thiazol-4-yl)methyl]pyrazole-3-carboxylate
PubChem CID142463647
Molecular FormulaC15H20N4O2S
Molecular Weight320.42 g/mol
Exact Mass320.13
IUPAC Namemethyl 5-methyl-1-[(2-piperidin-1-yl-1,3-thiazol-4-yl)methyl]pyrazole-3-carboxylate
SMILESCOC(=O)c1cc(C)n(Cc2csc(N3CCCCC3)n2)n1
InChIInChI=1S/C15H20N4O2S/c1-11-8-13(14(20)21-2)17-19(11)9-12-10-22-15(16-12)18-6-4-3-5-7-18/h8,10H,3-7,9H2,1-2H3
InChIKeyJXHHKAKJYCGRPB-UHFFFAOYSA-N
XLogP2.47
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.42
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 5-methyl-1-[(2-piperidin-1-yl-1,3-thiazol-4-yl)methyl]pyrazole-3-carboxylate?
The IUPAC name of methyl 5-methyl-1-[(2-piperidin-1-yl-1,3-thiazol-4-yl)methyl]pyrazole-3-carboxylate (CID 142463647) is methyl 5-methyl-1-[(2-piperidin-1-yl-1,3-thiazol-4-yl)methyl]pyrazole-3-carboxylate.
What is the SMILES notation for methyl 5-methyl-1-[(2-piperidin-1-yl-1,3-thiazol-4-yl)methyl]pyrazole-3-carboxylate?
The canonical SMILES for methyl 5-methyl-1-[(2-piperidin-1-yl-1,3-thiazol-4-yl)methyl]pyrazole-3-carboxylate is COC(=O)c1cc(C)n(Cc2csc(N3CCCCC3)n2)n1.
What is the InChIKey of methyl 5-methyl-1-[(2-piperidin-1-yl-1,3-thiazol-4-yl)methyl]pyrazole-3-carboxylate?
The InChIKey is JXHHKAKJYCGRPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2S/c1-11-8-13(14(20)21-2)17-19(11)9-12-10-22-15(16-12)18-6-4-3-5-7-18/h8,10H,3-7,9H2,1-2H3.
What are the key properties of methyl 5-methyl-1-[(2-piperidin-1-yl-1,3-thiazol-4-yl)methyl]pyrazole-3-carboxylate?
methyl 5-methyl-1-[(2-piperidin-1-yl-1,3-thiazol-4-yl)methyl]pyrazole-3-carboxylate has a molecular weight of 320.42 g/mol, XLogP of 2.47, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-methyl-1-[(2-piperidin-1-yl-1,3-thiazol-4-yl)methyl]pyrazole-3-carboxylate is sourced from PubChem (CID 142463647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).