1-(1-ethyl-3-propan-2-ylpyrazol-4-yl)-4-(methoxymethyl)piperidine

C15H27N3O — CID 175085630

IUPAC1-(1-ethyl-3-propan-2-ylpyrazol-4-yl)-4-(methoxymethyl)piperidine
SMILESCCn1cc(N2CCC(COC)CC2)c(C(C)C)n1
InChIInChI=1S/C15H27N3O/c1-5-18-10-14(15(16-18)12(2)3)17-8-6-13(7-9-17)11-19-4/h10,12-13H,5-9,11H2,1-4H3
InChIKeyHWQSGBYGPVRUDJ-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.89
Rot. Bonds5

About 1-(1-ethyl-3-propan-2-ylpyrazol-4-yl)-4-(methoxymethyl)piperidine

1-(1-ethyl-3-propan-2-ylpyrazol-4-yl)-4-(methoxymethyl)piperidine (PubChem CID 175085630) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is 1-(1-ethyl-3-propan-2-ylpyrazol-4-yl)-4-(methoxymethyl)piperidine.

Molecular Properties

Compound Name1-(1-ethyl-3-propan-2-ylpyrazol-4-yl)-4-(methoxymethyl)piperidine
PubChem CID175085630
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC Name1-(1-ethyl-3-propan-2-ylpyrazol-4-yl)-4-(methoxymethyl)piperidine
SMILESCCn1cc(N2CCC(COC)CC2)c(C(C)C)n1
InChIInChI=1S/C15H27N3O/c1-5-18-10-14(15(16-18)12(2)3)17-8-6-13(7-9-17)11-19-4/h10,12-13H,5-9,11H2,1-4H3
InChIKeyHWQSGBYGPVRUDJ-UHFFFAOYSA-N
XLogP2.89
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1-ethyl-3-propan-2-ylpyrazol-4-yl)-4-(methoxymethyl)piperidine?
The IUPAC name of 1-(1-ethyl-3-propan-2-ylpyrazol-4-yl)-4-(methoxymethyl)piperidine (CID 175085630) is 1-(1-ethyl-3-propan-2-ylpyrazol-4-yl)-4-(methoxymethyl)piperidine.
What is the SMILES notation for 1-(1-ethyl-3-propan-2-ylpyrazol-4-yl)-4-(methoxymethyl)piperidine?
The canonical SMILES for 1-(1-ethyl-3-propan-2-ylpyrazol-4-yl)-4-(methoxymethyl)piperidine is CCn1cc(N2CCC(COC)CC2)c(C(C)C)n1.
What is the InChIKey of 1-(1-ethyl-3-propan-2-ylpyrazol-4-yl)-4-(methoxymethyl)piperidine?
The InChIKey is HWQSGBYGPVRUDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-5-18-10-14(15(16-18)12(2)3)17-8-6-13(7-9-17)11-19-4/h10,12-13H,5-9,11H2,1-4H3.
What are the key properties of 1-(1-ethyl-3-propan-2-ylpyrazol-4-yl)-4-(methoxymethyl)piperidine?
1-(1-ethyl-3-propan-2-ylpyrazol-4-yl)-4-(methoxymethyl)piperidine has a molecular weight of 265.40 g/mol, XLogP of 2.89, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethyl-3-propan-2-ylpyrazol-4-yl)-4-(methoxymethyl)piperidine is sourced from PubChem (CID 175085630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).