1-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-3-(1,3-thiazol-4-yl)propan-1-one

C15H20N4OS — CID 71926774

IUPAC1-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-3-(1,3-thiazol-4-yl)propan-1-one
SMILESCc1cc(C2CCCN(C(=O)CCc3cscn3)C2)n[nH]1
InChIInChI=1S/C15H20N4OS/c1-11-7-14(18-17-11)12-3-2-6-19(8-12)15(20)5-4-13-9-21-10-16-13/h7,9-10,12H,2-6,8H2,1H3,(H,17,18)
InChIKeyGNVIJWVVAMCDCC-UHFFFAOYSA-N
MW304.42 g/mol
LogP2.51
Rot. Bonds4

About 1-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-3-(1,3-thiazol-4-yl)propan-1-one

1-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-3-(1,3-thiazol-4-yl)propan-1-one (PubChem CID 71926774) has the molecular formula C15H20N4OS and a molecular weight of 304.42 g/mol. Its IUPAC name is 1-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-3-(1,3-thiazol-4-yl)propan-1-one.

Molecular Properties

Compound Name1-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-3-(1,3-thiazol-4-yl)propan-1-one
PubChem CID71926774
Molecular FormulaC15H20N4OS
Molecular Weight304.42 g/mol
Exact Mass304.14
IUPAC Name1-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-3-(1,3-thiazol-4-yl)propan-1-one
SMILESCc1cc(C2CCCN(C(=O)CCc3cscn3)C2)n[nH]1
InChIInChI=1S/C15H20N4OS/c1-11-7-14(18-17-11)12-3-2-6-19(8-12)15(20)5-4-13-9-21-10-16-13/h7,9-10,12H,2-6,8H2,1H3,(H,17,18)
InChIKeyGNVIJWVVAMCDCC-UHFFFAOYSA-N
XLogP2.51
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-3-(1,3-thiazol-4-yl)propan-1-one?
The IUPAC name of 1-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-3-(1,3-thiazol-4-yl)propan-1-one (CID 71926774) is 1-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-3-(1,3-thiazol-4-yl)propan-1-one.
What is the SMILES notation for 1-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-3-(1,3-thiazol-4-yl)propan-1-one?
The canonical SMILES for 1-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-3-(1,3-thiazol-4-yl)propan-1-one is Cc1cc(C2CCCN(C(=O)CCc3cscn3)C2)n[nH]1.
What is the InChIKey of 1-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-3-(1,3-thiazol-4-yl)propan-1-one?
The InChIKey is GNVIJWVVAMCDCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4OS/c1-11-7-14(18-17-11)12-3-2-6-19(8-12)15(20)5-4-13-9-21-10-16-13/h7,9-10,12H,2-6,8H2,1H3,(H,17,18).
What are the key properties of 1-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-3-(1,3-thiazol-4-yl)propan-1-one?
1-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-3-(1,3-thiazol-4-yl)propan-1-one has a molecular weight of 304.42 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-3-(1,3-thiazol-4-yl)propan-1-one is sourced from PubChem (CID 71926774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).