2-[3-(4-fluorophenyl)-5-[1-(2-phenylethyl)piperidin-4-yl]pyrazol-1-yl]pyrimidine

C26H26FN5 — CID 54597175

IUPAC2-[3-(4-fluorophenyl)-5-[1-(2-phenylethyl)piperidin-4-yl]pyrazol-1-yl]pyrimidine
SMILESFc1ccc(-c2cc(C3CCN(CCc4ccccc4)CC3)n(-c3ncccn3)n2)cc1
InChIInChI=1S/C26H26FN5/c27-23-9-7-21(8-10-23)24-19-25(32(30-24)26-28-14-4-15-29-26)22-12-17-31(18-13-22)16-11-20-5-2-1-3-6-20/h1-10,14-15,19,22H,11-13,16-18H2
InChIKeyOLBXAQJDNKDBAS-UHFFFAOYSA-N
MW427.53 g/mol
LogP4.89
Rot. Bonds6

About 2-[3-(4-fluorophenyl)-5-[1-(2-phenylethyl)piperidin-4-yl]pyrazol-1-yl]pyrimidine

2-[3-(4-fluorophenyl)-5-[1-(2-phenylethyl)piperidin-4-yl]pyrazol-1-yl]pyrimidine (PubChem CID 54597175) has the molecular formula C26H26FN5 and a molecular weight of 427.53 g/mol. Its IUPAC name is 2-[3-(4-fluorophenyl)-5-[1-(2-phenylethyl)piperidin-4-yl]pyrazol-1-yl]pyrimidine.

Molecular Properties

Compound Name2-[3-(4-fluorophenyl)-5-[1-(2-phenylethyl)piperidin-4-yl]pyrazol-1-yl]pyrimidine
PubChem CID54597175
Molecular FormulaC26H26FN5
Molecular Weight427.53 g/mol
Exact Mass427.22
IUPAC Name2-[3-(4-fluorophenyl)-5-[1-(2-phenylethyl)piperidin-4-yl]pyrazol-1-yl]pyrimidine
SMILESFc1ccc(-c2cc(C3CCN(CCc4ccccc4)CC3)n(-c3ncccn3)n2)cc1
InChIInChI=1S/C26H26FN5/c27-23-9-7-21(8-10-23)24-19-25(32(30-24)26-28-14-4-15-29-26)22-12-17-31(18-13-22)16-11-20-5-2-1-3-6-20/h1-10,14-15,19,22H,11-13,16-18H2
InChIKeyOLBXAQJDNKDBAS-UHFFFAOYSA-N
XLogP4.89
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.53
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[3-(4-fluorophenyl)-5-[1-(2-phenylethyl)piperidin-4-yl]pyrazol-1-yl]pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[3-(4-fluorophenyl)-5-[1-[(2R)-2-methoxy-2-phenylethyl]piperidin-4-yl]pyrazol-1-yl]pyrimidine
CID 54597176
4-[3-(4-chlorophenyl)-1-phenylpyrazol-5-yl]-1-(2-phenylethyl)piperidine
CID 54597102
1-[2-(4-chlorophenyl)ethyl]-4-[3-(4-chlorophenyl)-1-phenylpyrazol-5-yl]piperidine
CID 71252011
(2S,5S)-2-[3-(4-fluorophenyl)-1-pyrimidin-2-ylpyrazol-5-yl]-5-(2-phenylethyl)morpholine
CID 54670627
4-[3-(4-chlorophenyl)-1-methylpyrazol-5-yl]-1-(2-phenylethyl)piperidine
CID 71251956
N-[(2-fluorophenyl)methyl]-3-[3-(4-fluorophenyl)-1-pyrimidin-2-ylpyrazol-5-yl]piperidine-1-carboxamide
CID 71287426
1-[3-[3-(4-fluorophenyl)-1-pyrimidin-2-ylpyrazol-5-yl]piperidin-1-yl]-3-(1-methylpyrazol-4-yl)propan-1-one
CID 71287383
2-[4-[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-1-(2-phenylethyl)piperidin-4-yl]pyridine;methane
CID 157130330
3-[3-(4-fluorophenyl)-1-pyrimidin-2-ylpyrazol-5-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-1-carboxamide
CID 71287419
N-(4-tert-butylphenyl)-3-[3-(4-fluorophenyl)-1-pyrimidin-2-ylpyrazol-5-yl]piperidine-1-carboxamide
CID 71287417
4-phenyl-1-(2-phenylethyl)piperidine
CID 54327803
4-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]-1-(2-phenylethyl)piperazine-2,6-dione
CID 53333641

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-fluorophenyl)-5-[1-(2-phenylethyl)piperidin-4-yl]pyrazol-1-yl]pyrimidine?
The IUPAC name of 2-[3-(4-fluorophenyl)-5-[1-(2-phenylethyl)piperidin-4-yl]pyrazol-1-yl]pyrimidine (CID 54597175) is 2-[3-(4-fluorophenyl)-5-[1-(2-phenylethyl)piperidin-4-yl]pyrazol-1-yl]pyrimidine.
What is the SMILES notation for 2-[3-(4-fluorophenyl)-5-[1-(2-phenylethyl)piperidin-4-yl]pyrazol-1-yl]pyrimidine?
The canonical SMILES for 2-[3-(4-fluorophenyl)-5-[1-(2-phenylethyl)piperidin-4-yl]pyrazol-1-yl]pyrimidine is Fc1ccc(-c2cc(C3CCN(CCc4ccccc4)CC3)n(-c3ncccn3)n2)cc1.
What is the InChIKey of 2-[3-(4-fluorophenyl)-5-[1-(2-phenylethyl)piperidin-4-yl]pyrazol-1-yl]pyrimidine?
The InChIKey is OLBXAQJDNKDBAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26FN5/c27-23-9-7-21(8-10-23)24-19-25(32(30-24)26-28-14-4-15-29-26)22-12-17-31(18-13-22)16-11-20-5-2-1-3-6-20/h1-10,14-15,19,22H,11-13,16-18H2.
What are the key properties of 2-[3-(4-fluorophenyl)-5-[1-(2-phenylethyl)piperidin-4-yl]pyrazol-1-yl]pyrimidine?
2-[3-(4-fluorophenyl)-5-[1-(2-phenylethyl)piperidin-4-yl]pyrazol-1-yl]pyrimidine has a molecular weight of 427.53 g/mol, XLogP of 4.89, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-fluorophenyl)-5-[1-(2-phenylethyl)piperidin-4-yl]pyrazol-1-yl]pyrimidine is sourced from PubChem (CID 54597175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).