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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Related Compounds

4-[3-[(4-chlorophenyl)methyl]-1-ethylpyrazol-5-yl]piperidine;4-[3-[(3,4-dichlorophenyl)methyl]-1-ethylpyrazol-5-yl]piperidine;3-[(1-ethyl-5-piperidin-4-ylpyrazol-3-yl)methyl]benzonitrile
CID 158687306
4-(3-benzyl-1-propylpyrazol-5-yl)piperidine
CID 18187520
4-[1-ethyl-3-[(4-phenylmethoxyphenyl)methyl]pyrazol-5-yl]piperidine
CID 18187803
4-(3-benzyl-1-methylpyrazol-5-yl)piperidine
CID 18187656
4-(3-benzyl-1-ethylpyrazol-5-yl)-1-ethylpiperidine
CID 142020526
4-[3-[(4-fluorophenyl)methyl]-1-propylpyrazol-5-yl]piperidine
CID 18187705
[3-[(3-chlorophenyl)methyl]-1-methylpyrazol-5-yl]methanamine
CID 115092957
N-[(3-chlorophenyl)methyl]-N-(piperidin-4-ylmethyl)propan-1-amine
CID 79715336
2-[4-[(3-chlorophenyl)methyl]triazol-1-yl]-N-piperidin-4-ylacetamide
CID 167753873
bis(4-[(3-chlorophenyl)methyl]-2-piperazin-1-yl-1,3-thiazole);hydrate;tetrahydrochloride
CID 21153249
3-benzyl-5-(5-cyclopropyl-1-ethylpyrazol-3-yl)-1-[(4-methylphenyl)methyl]-1,2,4-triazole
CID 166388210
4-[2-(3-chlorophenyl)-1-fluoroethyl]piperidine
CID 112563625

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).