2-[5-[1-(2-phenylethyl)piperidin-4-yl]-1H-pyrazol-3-yl]pyridine

C21H24N4 — CID 10688035

IUPAC2-[5-[1-(2-phenylethyl)piperidin-4-yl]-1H-pyrazol-3-yl]pyridine
SMILESc1ccc(CCN2CCC(c3cc(-c4ccccn4)n[nH]3)CC2)cc1
InChIInChI=1S/C21H24N4/c1-2-6-17(7-3-1)9-13-25-14-10-18(11-15-25)20-16-21(24-23-20)19-8-4-5-12-22-19/h1-8,12,16,18H,9-11,13-15H2,(H,23,24)
InChIKeyRWEPTLSUVVSWHX-UHFFFAOYSA-N
MW332.45 g/mol
LogP3.89
Rot. Bonds5

About 2-[5-[1-(2-phenylethyl)piperidin-4-yl]-1H-pyrazol-3-yl]pyridine

2-[5-[1-(2-phenylethyl)piperidin-4-yl]-1H-pyrazol-3-yl]pyridine (PubChem CID 10688035) has the molecular formula C21H24N4 and a molecular weight of 332.45 g/mol. Its IUPAC name is 2-[5-[1-(2-phenylethyl)piperidin-4-yl]-1H-pyrazol-3-yl]pyridine.

Molecular Properties

Compound Name2-[5-[1-(2-phenylethyl)piperidin-4-yl]-1H-pyrazol-3-yl]pyridine
PubChem CID10688035
Molecular FormulaC21H24N4
Molecular Weight332.45 g/mol
Exact Mass332.20
IUPAC Name2-[5-[1-(2-phenylethyl)piperidin-4-yl]-1H-pyrazol-3-yl]pyridine
SMILESc1ccc(CCN2CCC(c3cc(-c4ccccn4)n[nH]3)CC2)cc1
InChIInChI=1S/C21H24N4/c1-2-6-17(7-3-1)9-13-25-14-10-18(11-15-25)20-16-21(24-23-20)19-8-4-5-12-22-19/h1-8,12,16,18H,9-11,13-15H2,(H,23,24)
InChIKeyRWEPTLSUVVSWHX-UHFFFAOYSA-N
XLogP3.89
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Ly-364947
CID 447966
4-[3-(4-fluorophenyl)-1H-pyrazol-4-yl]pyridine
CID 12106168
4-(2-(4-fluorophenyl)-5-(1-methylpiperidine-4-yl)-1H-pyrrol-3-yl)pyridine
CID 500899
3-pyridin-4-yl-1H-indazole
CID 12412578
GW-6604
CID 9861063
RepSox
CID 449054
3-(1H-pyrazol-5-yl)pyridine
CID 7074967
5-Pyridin-3-yl-2H-pyrazol-3-ylamine
CID 7446899
4-[5-[3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]pyridine
CID 3575503
2-(4-fluorophenyl)-4-(3-(pyridin-2-yl)-1H-pyrazol-4-yl)pyridine
CID 9858084
2-(4-Isopropylphenyl)-4-(3-(pyridin-2-yl)-1H-pyrazol-4-yl)pyridine
CID 11717091
(3-(pyridin-3-yl)-1H-pyrazol-5-yl)methanamine
CID 11993870

Frequently Asked Questions

What is the IUPAC name of 2-[5-[1-(2-phenylethyl)piperidin-4-yl]-1H-pyrazol-3-yl]pyridine?
The IUPAC name of 2-[5-[1-(2-phenylethyl)piperidin-4-yl]-1H-pyrazol-3-yl]pyridine (CID 10688035) is 2-[5-[1-(2-phenylethyl)piperidin-4-yl]-1H-pyrazol-3-yl]pyridine.
What is the SMILES notation for 2-[5-[1-(2-phenylethyl)piperidin-4-yl]-1H-pyrazol-3-yl]pyridine?
The canonical SMILES for 2-[5-[1-(2-phenylethyl)piperidin-4-yl]-1H-pyrazol-3-yl]pyridine is c1ccc(CCN2CCC(c3cc(-c4ccccn4)n[nH]3)CC2)cc1.
What is the InChIKey of 2-[5-[1-(2-phenylethyl)piperidin-4-yl]-1H-pyrazol-3-yl]pyridine?
The InChIKey is RWEPTLSUVVSWHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4/c1-2-6-17(7-3-1)9-13-25-14-10-18(11-15-25)20-16-21(24-23-20)19-8-4-5-12-22-19/h1-8,12,16,18H,9-11,13-15H2,(H,23,24).
What are the key properties of 2-[5-[1-(2-phenylethyl)piperidin-4-yl]-1H-pyrazol-3-yl]pyridine?
2-[5-[1-(2-phenylethyl)piperidin-4-yl]-1H-pyrazol-3-yl]pyridine has a molecular weight of 332.45 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[1-(2-phenylethyl)piperidin-4-yl]-1H-pyrazol-3-yl]pyridine is sourced from PubChem (CID 10688035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).