3-(4,5-dimethyl-1H-pyrazol-3-yl)-1-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]propan-1-one

C19H26N4O2 — CID 70768817

IUPAC3-(4,5-dimethyl-1H-pyrazol-3-yl)-1-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]propan-1-one
SMILESCc1[nH]nc(CCC(=O)N2CCCC(OCc3cccnc3)C2)c1C
InChIInChI=1S/C19H26N4O2/c1-14-15(2)21-22-18(14)7-8-19(24)23-10-4-6-17(12-23)25-13-16-5-3-9-20-11-16/h3,5,9,11,17H,4,6-8,10,12-13H2,1-2H3,(H,21,22)
InChIKeyFQFIGCKPAVMGQS-UHFFFAOYSA-N
MW342.44 g/mol
LogP2.56
Rot. Bonds6

About 3-(4,5-dimethyl-1H-pyrazol-3-yl)-1-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]propan-1-one

3-(4,5-dimethyl-1H-pyrazol-3-yl)-1-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]propan-1-one (PubChem CID 70768817) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is 3-(4,5-dimethyl-1H-pyrazol-3-yl)-1-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(4,5-dimethyl-1H-pyrazol-3-yl)-1-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]propan-1-one
PubChem CID70768817
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name3-(4,5-dimethyl-1H-pyrazol-3-yl)-1-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]propan-1-one
SMILESCc1[nH]nc(CCC(=O)N2CCCC(OCc3cccnc3)C2)c1C
InChIInChI=1S/C19H26N4O2/c1-14-15(2)21-22-18(14)7-8-19(24)23-10-4-6-17(12-23)25-13-16-5-3-9-20-11-16/h3,5,9,11,17H,4,6-8,10,12-13H2,1-2H3,(H,21,22)
InChIKeyFQFIGCKPAVMGQS-UHFFFAOYSA-N
XLogP2.56
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4,5-dimethyl-1H-pyrazol-3-yl)-1-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]propan-1-one?
The IUPAC name of 3-(4,5-dimethyl-1H-pyrazol-3-yl)-1-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]propan-1-one (CID 70768817) is 3-(4,5-dimethyl-1H-pyrazol-3-yl)-1-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 3-(4,5-dimethyl-1H-pyrazol-3-yl)-1-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]propan-1-one?
The canonical SMILES for 3-(4,5-dimethyl-1H-pyrazol-3-yl)-1-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]propan-1-one is Cc1[nH]nc(CCC(=O)N2CCCC(OCc3cccnc3)C2)c1C.
What is the InChIKey of 3-(4,5-dimethyl-1H-pyrazol-3-yl)-1-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]propan-1-one?
The InChIKey is FQFIGCKPAVMGQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-14-15(2)21-22-18(14)7-8-19(24)23-10-4-6-17(12-23)25-13-16-5-3-9-20-11-16/h3,5,9,11,17H,4,6-8,10,12-13H2,1-2H3,(H,21,22).
What are the key properties of 3-(4,5-dimethyl-1H-pyrazol-3-yl)-1-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]propan-1-one?
3-(4,5-dimethyl-1H-pyrazol-3-yl)-1-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]propan-1-one has a molecular weight of 342.44 g/mol, XLogP of 2.56, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,5-dimethyl-1H-pyrazol-3-yl)-1-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 70768817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).