4-(3-ethyl-1-phenylpyrazol-4-yl)piperidine

C16H21N3 — CID 174757890

IUPAC4-(3-ethyl-1-phenylpyrazol-4-yl)piperidine
SMILESCCc1nn(-c2ccccc2)cc1C1CCNCC1
InChIInChI=1S/C16H21N3/c1-2-16-15(13-8-10-17-11-9-13)12-19(18-16)14-6-4-3-5-7-14/h3-7,12-13,17H,2,8-11H2,1H3
InChIKeyWRLHZSVIRXOODH-UHFFFAOYSA-N
MW255.37 g/mol
LogP2.90
Rot. Bonds3

About 4-(3-ethyl-1-phenylpyrazol-4-yl)piperidine

4-(3-ethyl-1-phenylpyrazol-4-yl)piperidine (PubChem CID 174757890) has the molecular formula C16H21N3 and a molecular weight of 255.37 g/mol. Its IUPAC name is 4-(3-ethyl-1-phenylpyrazol-4-yl)piperidine.

Molecular Properties

Compound Name4-(3-ethyl-1-phenylpyrazol-4-yl)piperidine
PubChem CID174757890
Molecular FormulaC16H21N3
Molecular Weight255.37 g/mol
Exact Mass255.17
IUPAC Name4-(3-ethyl-1-phenylpyrazol-4-yl)piperidine
SMILESCCc1nn(-c2ccccc2)cc1C1CCNCC1
InChIInChI=1S/C16H21N3/c1-2-16-15(13-8-10-17-11-9-13)12-19(18-16)14-6-4-3-5-7-14/h3-7,12-13,17H,2,8-11H2,1H3
InChIKeyWRLHZSVIRXOODH-UHFFFAOYSA-N
XLogP2.90
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.37
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-ethyl-1-phenylpyrazol-4-yl)piperidine?
The IUPAC name of 4-(3-ethyl-1-phenylpyrazol-4-yl)piperidine (CID 174757890) is 4-(3-ethyl-1-phenylpyrazol-4-yl)piperidine.
What is the SMILES notation for 4-(3-ethyl-1-phenylpyrazol-4-yl)piperidine?
The canonical SMILES for 4-(3-ethyl-1-phenylpyrazol-4-yl)piperidine is CCc1nn(-c2ccccc2)cc1C1CCNCC1.
What is the InChIKey of 4-(3-ethyl-1-phenylpyrazol-4-yl)piperidine?
The InChIKey is WRLHZSVIRXOODH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-2-16-15(13-8-10-17-11-9-13)12-19(18-16)14-6-4-3-5-7-14/h3-7,12-13,17H,2,8-11H2,1H3.
What are the key properties of 4-(3-ethyl-1-phenylpyrazol-4-yl)piperidine?
4-(3-ethyl-1-phenylpyrazol-4-yl)piperidine has a molecular weight of 255.37 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-ethyl-1-phenylpyrazol-4-yl)piperidine is sourced from PubChem (CID 174757890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).