4-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-1-methylpiperidine

C15H18ClN3 — CID 10826290

IUPAC4-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-1-methylpiperidine
SMILESCN1CCC(c2cc(-c3ccc(Cl)cc3)n[nH]2)CC1
InChIInChI=1S/C15H18ClN3/c1-19-8-6-12(7-9-19)15-10-14(17-18-15)11-2-4-13(16)5-3-11/h2-5,10,12H,6-9H2,1H3,(H,17,18)
InChIKeyHSWZTUYZQLIVNT-UHFFFAOYSA-N
MW275.78 g/mol
LogP3.54
Rot. Bonds2

About 4-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-1-methylpiperidine

4-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-1-methylpiperidine (PubChem CID 10826290) has the molecular formula C15H18ClN3 and a molecular weight of 275.78 g/mol. Its IUPAC name is 4-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-1-methylpiperidine.

Molecular Properties

Compound Name4-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-1-methylpiperidine
PubChem CID10826290
Molecular FormulaC15H18ClN3
Molecular Weight275.78 g/mol
Exact Mass275.12
IUPAC Name4-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-1-methylpiperidine
SMILESCN1CCC(c2cc(-c3ccc(Cl)cc3)n[nH]2)CC1
InChIInChI=1S/C15H18ClN3/c1-19-8-6-12(7-9-19)15-10-14(17-18-15)11-2-4-13(16)5-3-11/h2-5,10,12H,6-9H2,1H3,(H,17,18)
InChIKeyHSWZTUYZQLIVNT-UHFFFAOYSA-N
XLogP3.54
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.78
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-chlorophenyl)-1H-pyrazole
CID 714291
3-(4-chlorophenyl)-4,5,6,7-tetrahydro-1H-indazole
CID 2767228
4-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]piperidine
CID 449126
3-(4-chlorophenyl)-5-(1,1,2,2-tetrafluoroethyl)-1H-pyrazole
CID 800359
Zinc00434359
CID 869251
3,5-bis(4-chlorophenyl)-1H-pyrazole
CID 12436641
3-(4-Chlorophenyl)-5-methyl-1H-pyrazole
CID 606094
3-(4-chlorophenyl)-5-(trifluoromethyl)-1H-pyrazole
CID 732508
4-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-1-[(4-chlorophenyl)methyl]piperidine
CID 3746693
3-(1-Benzyl-pyrrolidin-3-yl)-5-(4-chloro-phenyl)-1H-pyrazole
CID 10497193
1-Benzyl-4-[5-(4-chloro-phenyl)-1H-pyrazol-3-yl]-4-methyl-piperidine
CID 10546828
1-Benzyl-4-[5-(4-chloro-phenyl)-1H-pyrazol-3-yl]-piperidine
CID 10594113

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-1-methylpiperidine?
The IUPAC name of 4-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-1-methylpiperidine (CID 10826290) is 4-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-1-methylpiperidine.
What is the SMILES notation for 4-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-1-methylpiperidine?
The canonical SMILES for 4-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-1-methylpiperidine is CN1CCC(c2cc(-c3ccc(Cl)cc3)n[nH]2)CC1.
What is the InChIKey of 4-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-1-methylpiperidine?
The InChIKey is HSWZTUYZQLIVNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3/c1-19-8-6-12(7-9-19)15-10-14(17-18-15)11-2-4-13(16)5-3-11/h2-5,10,12H,6-9H2,1H3,(H,17,18).
What are the key properties of 4-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-1-methylpiperidine?
4-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-1-methylpiperidine has a molecular weight of 275.78 g/mol, XLogP of 3.54, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-1-methylpiperidine is sourced from PubChem (CID 10826290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).