4-[3-[(3-chlorophenyl)methyl]-1-ethylpyrazol-5-yl]piperidine

C17H22ClN3 — CID 18187707

IUPAC4-[3-[(3-chlorophenyl)methyl]-1-ethylpyrazol-5-yl]piperidine
SMILESCCn1nc(Cc2cccc(Cl)c2)cc1C1CCNCC1
InChIInChI=1S/C17H22ClN3/c1-2-21-17(14-6-8-19-9-7-14)12-16(20-21)11-13-4-3-5-15(18)10-13/h3-5,10,12,14,19H,2,6-9,11H2,1H3
InChIKeyWRFZJODUQRXFGT-UHFFFAOYSA-N
MW303.84 g/mol
LogP3.61
Rot. Bonds4

About 4-[3-[(3-chlorophenyl)methyl]-1-ethylpyrazol-5-yl]piperidine

4-[3-[(3-chlorophenyl)methyl]-1-ethylpyrazol-5-yl]piperidine (PubChem CID 18187707) has the molecular formula C17H22ClN3 and a molecular weight of 303.84 g/mol. Its IUPAC name is 4-[3-[(3-chlorophenyl)methyl]-1-ethylpyrazol-5-yl]piperidine.

Molecular Properties

Compound Name4-[3-[(3-chlorophenyl)methyl]-1-ethylpyrazol-5-yl]piperidine
PubChem CID18187707
Molecular FormulaC17H22ClN3
Molecular Weight303.84 g/mol
Exact Mass303.15
IUPAC Name4-[3-[(3-chlorophenyl)methyl]-1-ethylpyrazol-5-yl]piperidine
SMILESCCn1nc(Cc2cccc(Cl)c2)cc1C1CCNCC1
InChIInChI=1S/C17H22ClN3/c1-2-21-17(14-6-8-19-9-7-14)12-16(20-21)11-13-4-3-5-15(18)10-13/h3-5,10,12,14,19H,2,6-9,11H2,1H3
InChIKeyWRFZJODUQRXFGT-UHFFFAOYSA-N
XLogP3.61
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.84
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[(3-chlorophenyl)methyl]-1-ethylpyrazol-5-yl]piperidine?
The IUPAC name of 4-[3-[(3-chlorophenyl)methyl]-1-ethylpyrazol-5-yl]piperidine (CID 18187707) is 4-[3-[(3-chlorophenyl)methyl]-1-ethylpyrazol-5-yl]piperidine.
What is the SMILES notation for 4-[3-[(3-chlorophenyl)methyl]-1-ethylpyrazol-5-yl]piperidine?
The canonical SMILES for 4-[3-[(3-chlorophenyl)methyl]-1-ethylpyrazol-5-yl]piperidine is CCn1nc(Cc2cccc(Cl)c2)cc1C1CCNCC1.
What is the InChIKey of 4-[3-[(3-chlorophenyl)methyl]-1-ethylpyrazol-5-yl]piperidine?
The InChIKey is WRFZJODUQRXFGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClN3/c1-2-21-17(14-6-8-19-9-7-14)12-16(20-21)11-13-4-3-5-15(18)10-13/h3-5,10,12,14,19H,2,6-9,11H2,1H3.
What are the key properties of 4-[3-[(3-chlorophenyl)methyl]-1-ethylpyrazol-5-yl]piperidine?
4-[3-[(3-chlorophenyl)methyl]-1-ethylpyrazol-5-yl]piperidine has a molecular weight of 303.84 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(3-chlorophenyl)methyl]-1-ethylpyrazol-5-yl]piperidine is sourced from PubChem (CID 18187707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).