4-(3-ethyl-1-propan-2-ylpyrazol-5-yl)-1-methylpiperidine

C14H25N3 — CID 123944716

IUPAC4-(3-ethyl-1-propan-2-ylpyrazol-5-yl)-1-methylpiperidine
SMILESCCc1cc(C2CCN(C)CC2)n(C(C)C)n1
InChIInChI=1S/C14H25N3/c1-5-13-10-14(17(15-13)11(2)3)12-6-8-16(4)9-7-12/h10-12H,5-9H2,1-4H3
InChIKeyDRSNSIPDUPSOAT-UHFFFAOYSA-N
MW235.38 g/mol
LogP2.84
Rot. Bonds3

About 4-(3-ethyl-1-propan-2-ylpyrazol-5-yl)-1-methylpiperidine

4-(3-ethyl-1-propan-2-ylpyrazol-5-yl)-1-methylpiperidine (PubChem CID 123944716) has the molecular formula C14H25N3 and a molecular weight of 235.38 g/mol. Its IUPAC name is 4-(3-ethyl-1-propan-2-ylpyrazol-5-yl)-1-methylpiperidine.

Molecular Properties

Compound Name4-(3-ethyl-1-propan-2-ylpyrazol-5-yl)-1-methylpiperidine
PubChem CID123944716
Molecular FormulaC14H25N3
Molecular Weight235.38 g/mol
Exact Mass235.20
IUPAC Name4-(3-ethyl-1-propan-2-ylpyrazol-5-yl)-1-methylpiperidine
SMILESCCc1cc(C2CCN(C)CC2)n(C(C)C)n1
InChIInChI=1S/C14H25N3/c1-5-13-10-14(17(15-13)11(2)3)12-6-8-16(4)9-7-12/h10-12H,5-9H2,1-4H3
InChIKeyDRSNSIPDUPSOAT-UHFFFAOYSA-N
XLogP2.84
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.38
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-ethyl-1-propan-2-ylpyrazol-5-yl)-1-methylpiperidine?
The IUPAC name of 4-(3-ethyl-1-propan-2-ylpyrazol-5-yl)-1-methylpiperidine (CID 123944716) is 4-(3-ethyl-1-propan-2-ylpyrazol-5-yl)-1-methylpiperidine.
What is the SMILES notation for 4-(3-ethyl-1-propan-2-ylpyrazol-5-yl)-1-methylpiperidine?
The canonical SMILES for 4-(3-ethyl-1-propan-2-ylpyrazol-5-yl)-1-methylpiperidine is CCc1cc(C2CCN(C)CC2)n(C(C)C)n1.
What is the InChIKey of 4-(3-ethyl-1-propan-2-ylpyrazol-5-yl)-1-methylpiperidine?
The InChIKey is DRSNSIPDUPSOAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3/c1-5-13-10-14(17(15-13)11(2)3)12-6-8-16(4)9-7-12/h10-12H,5-9H2,1-4H3.
What are the key properties of 4-(3-ethyl-1-propan-2-ylpyrazol-5-yl)-1-methylpiperidine?
4-(3-ethyl-1-propan-2-ylpyrazol-5-yl)-1-methylpiperidine has a molecular weight of 235.38 g/mol, XLogP of 2.84, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-ethyl-1-propan-2-ylpyrazol-5-yl)-1-methylpiperidine is sourced from PubChem (CID 123944716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).