3-[[1-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]piperidin-4-yl]oxymethyl]pyridine

C18H25ClN4O — CID 77088039

IUPAC3-[[1-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]piperidin-4-yl]oxymethyl]pyridine
SMILESCCc1nn(C)c(Cl)c1CN1CCC(OCc2cccnc2)CC1
InChIInChI=1S/C18H25ClN4O/c1-3-17-16(18(19)22(2)21-17)12-23-9-6-15(7-10-23)24-13-14-5-4-8-20-11-14/h4-5,8,11,15H,3,6-7,9-10,12-13H2,1-2H3
InChIKeyZCRJVKOQHVRZAE-UHFFFAOYSA-N
MW348.88 g/mol
LogP3.21
Rot. Bonds6

About 3-[[1-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]piperidin-4-yl]oxymethyl]pyridine

3-[[1-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]piperidin-4-yl]oxymethyl]pyridine (PubChem CID 77088039) has the molecular formula C18H25ClN4O and a molecular weight of 348.88 g/mol. Its IUPAC name is 3-[[1-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]piperidin-4-yl]oxymethyl]pyridine.

Molecular Properties

Compound Name3-[[1-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]piperidin-4-yl]oxymethyl]pyridine
PubChem CID77088039
Molecular FormulaC18H25ClN4O
Molecular Weight348.88 g/mol
Exact Mass348.17
IUPAC Name3-[[1-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]piperidin-4-yl]oxymethyl]pyridine
SMILESCCc1nn(C)c(Cl)c1CN1CCC(OCc2cccnc2)CC1
InChIInChI=1S/C18H25ClN4O/c1-3-17-16(18(19)22(2)21-17)12-23-9-6-15(7-10-23)24-13-14-5-4-8-20-11-14/h4-5,8,11,15H,3,6-7,9-10,12-13H2,1-2H3
InChIKeyZCRJVKOQHVRZAE-UHFFFAOYSA-N
XLogP3.21
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.88
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[[1-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]piperidin-4-yl]oxymethyl]pyridine?
The IUPAC name of 3-[[1-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]piperidin-4-yl]oxymethyl]pyridine (CID 77088039) is 3-[[1-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]piperidin-4-yl]oxymethyl]pyridine.
What is the SMILES notation for 3-[[1-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]piperidin-4-yl]oxymethyl]pyridine?
The canonical SMILES for 3-[[1-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]piperidin-4-yl]oxymethyl]pyridine is CCc1nn(C)c(Cl)c1CN1CCC(OCc2cccnc2)CC1.
What is the InChIKey of 3-[[1-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]piperidin-4-yl]oxymethyl]pyridine?
The InChIKey is ZCRJVKOQHVRZAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25ClN4O/c1-3-17-16(18(19)22(2)21-17)12-23-9-6-15(7-10-23)24-13-14-5-4-8-20-11-14/h4-5,8,11,15H,3,6-7,9-10,12-13H2,1-2H3.
What are the key properties of 3-[[1-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]piperidin-4-yl]oxymethyl]pyridine?
3-[[1-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]piperidin-4-yl]oxymethyl]pyridine has a molecular weight of 348.88 g/mol, XLogP of 3.21, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]piperidin-4-yl]oxymethyl]pyridine is sourced from PubChem (CID 77088039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).