4-(3-methoxy-1-methylpyrazol-5-yl)-1-propan-2-ylpiperidine

C13H23N3O — CID 176692933

IUPAC4-(3-methoxy-1-methylpyrazol-5-yl)-1-propan-2-ylpiperidine
SMILESCOc1cc(C2CCN(C(C)C)CC2)n(C)n1
InChIInChI=1S/C13H23N3O/c1-10(2)16-7-5-11(6-8-16)12-9-13(17-4)14-15(12)3/h9-11H,5-8H2,1-4H3
InChIKeyWTBKZJCEEAIAED-UHFFFAOYSA-N
MW237.35 g/mol
LogP2.02
Rot. Bonds3

About 4-(3-methoxy-1-methylpyrazol-5-yl)-1-propan-2-ylpiperidine

4-(3-methoxy-1-methylpyrazol-5-yl)-1-propan-2-ylpiperidine (PubChem CID 176692933) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 4-(3-methoxy-1-methylpyrazol-5-yl)-1-propan-2-ylpiperidine.

Molecular Properties

Compound Name4-(3-methoxy-1-methylpyrazol-5-yl)-1-propan-2-ylpiperidine
PubChem CID176692933
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name4-(3-methoxy-1-methylpyrazol-5-yl)-1-propan-2-ylpiperidine
SMILESCOc1cc(C2CCN(C(C)C)CC2)n(C)n1
InChIInChI=1S/C13H23N3O/c1-10(2)16-7-5-11(6-8-16)12-9-13(17-4)14-15(12)3/h9-11H,5-8H2,1-4H3
InChIKeyWTBKZJCEEAIAED-UHFFFAOYSA-N
XLogP2.02
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxy-1-methylpyrazol-5-yl)-1-propan-2-ylpiperidine?
The IUPAC name of 4-(3-methoxy-1-methylpyrazol-5-yl)-1-propan-2-ylpiperidine (CID 176692933) is 4-(3-methoxy-1-methylpyrazol-5-yl)-1-propan-2-ylpiperidine.
What is the SMILES notation for 4-(3-methoxy-1-methylpyrazol-5-yl)-1-propan-2-ylpiperidine?
The canonical SMILES for 4-(3-methoxy-1-methylpyrazol-5-yl)-1-propan-2-ylpiperidine is COc1cc(C2CCN(C(C)C)CC2)n(C)n1.
What is the InChIKey of 4-(3-methoxy-1-methylpyrazol-5-yl)-1-propan-2-ylpiperidine?
The InChIKey is WTBKZJCEEAIAED-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-10(2)16-7-5-11(6-8-16)12-9-13(17-4)14-15(12)3/h9-11H,5-8H2,1-4H3.
What are the key properties of 4-(3-methoxy-1-methylpyrazol-5-yl)-1-propan-2-ylpiperidine?
4-(3-methoxy-1-methylpyrazol-5-yl)-1-propan-2-ylpiperidine has a molecular weight of 237.35 g/mol, XLogP of 2.02, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxy-1-methylpyrazol-5-yl)-1-propan-2-ylpiperidine is sourced from PubChem (CID 176692933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).