(5-methyl-1-propylpyrazol-4-yl)-[3-(pyridin-2-ylmethoxy)piperidin-1-yl]methanone

C19H26N4O2 — CID 50982705

IUPAC(5-methyl-1-propylpyrazol-4-yl)-[3-(pyridin-2-ylmethoxy)piperidin-1-yl]methanone
SMILESCCCn1ncc(C(=O)N2CCCC(OCc3ccccn3)C2)c1C
InChIInChI=1S/C19H26N4O2/c1-3-10-23-15(2)18(12-21-23)19(24)22-11-6-8-17(13-22)25-14-16-7-4-5-9-20-16/h4-5,7,9,12,17H,3,6,8,10-11,13-14H2,1-2H3
InChIKeyWBTYZPKNTRKKSJ-UHFFFAOYSA-N
MW342.44 g/mol
LogP2.82
Rot. Bonds6

About (5-methyl-1-propylpyrazol-4-yl)-[3-(pyridin-2-ylmethoxy)piperidin-1-yl]methanone

(5-methyl-1-propylpyrazol-4-yl)-[3-(pyridin-2-ylmethoxy)piperidin-1-yl]methanone (PubChem CID 50982705) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is (5-methyl-1-propylpyrazol-4-yl)-[3-(pyridin-2-ylmethoxy)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(5-methyl-1-propylpyrazol-4-yl)-[3-(pyridin-2-ylmethoxy)piperidin-1-yl]methanone
PubChem CID50982705
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name(5-methyl-1-propylpyrazol-4-yl)-[3-(pyridin-2-ylmethoxy)piperidin-1-yl]methanone
SMILESCCCn1ncc(C(=O)N2CCCC(OCc3ccccn3)C2)c1C
InChIInChI=1S/C19H26N4O2/c1-3-10-23-15(2)18(12-21-23)19(24)22-11-6-8-17(13-22)25-14-16-7-4-5-9-20-16/h4-5,7,9,12,17H,3,6,8,10-11,13-14H2,1-2H3
InChIKeyWBTYZPKNTRKKSJ-UHFFFAOYSA-N
XLogP2.82
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5-methyl-1-propylpyrazol-4-yl)-[3-(pyridin-2-ylmethoxy)piperidin-1-yl]methanone?
The IUPAC name of (5-methyl-1-propylpyrazol-4-yl)-[3-(pyridin-2-ylmethoxy)piperidin-1-yl]methanone (CID 50982705) is (5-methyl-1-propylpyrazol-4-yl)-[3-(pyridin-2-ylmethoxy)piperidin-1-yl]methanone.
What is the SMILES notation for (5-methyl-1-propylpyrazol-4-yl)-[3-(pyridin-2-ylmethoxy)piperidin-1-yl]methanone?
The canonical SMILES for (5-methyl-1-propylpyrazol-4-yl)-[3-(pyridin-2-ylmethoxy)piperidin-1-yl]methanone is CCCn1ncc(C(=O)N2CCCC(OCc3ccccn3)C2)c1C.
What is the InChIKey of (5-methyl-1-propylpyrazol-4-yl)-[3-(pyridin-2-ylmethoxy)piperidin-1-yl]methanone?
The InChIKey is WBTYZPKNTRKKSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-3-10-23-15(2)18(12-21-23)19(24)22-11-6-8-17(13-22)25-14-16-7-4-5-9-20-16/h4-5,7,9,12,17H,3,6,8,10-11,13-14H2,1-2H3.
What are the key properties of (5-methyl-1-propylpyrazol-4-yl)-[3-(pyridin-2-ylmethoxy)piperidin-1-yl]methanone?
(5-methyl-1-propylpyrazol-4-yl)-[3-(pyridin-2-ylmethoxy)piperidin-1-yl]methanone has a molecular weight of 342.44 g/mol, XLogP of 2.82, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-1-propylpyrazol-4-yl)-[3-(pyridin-2-ylmethoxy)piperidin-1-yl]methanone is sourced from PubChem (CID 50982705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).