1-[3-[5-(4-chlorophenyl)-1-phenylpyrazol-3-yl]propyl]-4-(2-fluorophenyl)piperazine

C28H28ClFN4 — CID 25066913

IUPAC1-[3-[5-(4-chlorophenyl)-1-phenylpyrazol-3-yl]propyl]-4-(2-fluorophenyl)piperazine
SMILESFc1ccccc1N1CCN(CCCc2cc(-c3ccc(Cl)cc3)n(-c3ccccc3)n2)CC1
InChIInChI=1S/C28H28ClFN4/c29-23-14-12-22(13-15-23)28-21-24(31-34(28)25-8-2-1-3-9-25)7-6-16-32-17-19-33(20-18-32)27-11-5-4-10-26(27)30/h1-5,8-15,21H,6-7,16-20H2
InChIKeyJULYKTSSZWFBQQ-UHFFFAOYSA-N
MW475.01 g/mol
LogP6.09
Rot. Bonds7

About 1-[3-[5-(4-chlorophenyl)-1-phenylpyrazol-3-yl]propyl]-4-(2-fluorophenyl)piperazine

1-[3-[5-(4-chlorophenyl)-1-phenylpyrazol-3-yl]propyl]-4-(2-fluorophenyl)piperazine (PubChem CID 25066913) has the molecular formula C28H28ClFN4 and a molecular weight of 475.01 g/mol. Its IUPAC name is 1-[3-[5-(4-chlorophenyl)-1-phenylpyrazol-3-yl]propyl]-4-(2-fluorophenyl)piperazine.

Molecular Properties

Compound Name1-[3-[5-(4-chlorophenyl)-1-phenylpyrazol-3-yl]propyl]-4-(2-fluorophenyl)piperazine
PubChem CID25066913
Molecular FormulaC28H28ClFN4
Molecular Weight475.01 g/mol
Exact Mass474.20
IUPAC Name1-[3-[5-(4-chlorophenyl)-1-phenylpyrazol-3-yl]propyl]-4-(2-fluorophenyl)piperazine
SMILESFc1ccccc1N1CCN(CCCc2cc(-c3ccc(Cl)cc3)n(-c3ccccc3)n2)CC1
InChIInChI=1S/C28H28ClFN4/c29-23-14-12-22(13-15-23)28-21-24(31-34(28)25-8-2-1-3-9-25)7-6-16-32-17-19-33(20-18-32)27-11-5-4-10-26(27)30/h1-5,8-15,21H,6-7,16-20H2
InChIKeyJULYKTSSZWFBQQ-UHFFFAOYSA-N
XLogP6.09
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.01
LogP ≤ 56.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-[5-(4-fluorophenyl)-1-phenylpyrazol-3-yl]propyl]-4-phenylpiperazine
CID 25064222
1-(2,3-dimethylphenyl)-4-[3-[5-(4-fluorophenyl)-1-phenylpyrazol-3-yl]propyl]piperazine
CID 25064429
1-(2,4-dimethylphenyl)-4-[3-(1,5-diphenylpyrazol-3-yl)propyl]piperazine
CID 25065047
1-[3-[3-butyl-1-(4-methylphenyl)pyrazol-5-yl]propyl]-4-(2-fluorophenyl)piperazine
CID 68559610
1-(4-chlorophenyl)-4-[3-(1-phenyl-5-propylpyrazol-3-yl)propyl]piperazine
CID 68557259
3-[5-(4-chlorophenyl)-1-phenylpyrazol-3-yl]propanoic acid
CID 14497452
3-(2-chloroethyl)-1-(4-chlorophenyl)-5-phenylpyrazole
CID 154721614
1-[3-[1-tert-butyl-5-(4-methylphenyl)pyrazol-3-yl]propyl]-4-phenylpiperazine
CID 25065259
1-[[5-(4-chlorophenyl)furan-2-yl]methyl]-4-(2-fluorophenyl)piperazine
CID 1375727
N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-1-phenyltetrazol-5-amine
CID 133294032
1-[3-[1-tert-butyl-5-(4-methoxyphenyl)pyrazol-3-yl]propyl]-4-phenylpiperazine
CID 25065874
3-(bromomethyl)-1-(4-chlorophenyl)-5-phenylpyrazole
CID 11450880

Frequently Asked Questions

What is the IUPAC name of 1-[3-[5-(4-chlorophenyl)-1-phenylpyrazol-3-yl]propyl]-4-(2-fluorophenyl)piperazine?
The IUPAC name of 1-[3-[5-(4-chlorophenyl)-1-phenylpyrazol-3-yl]propyl]-4-(2-fluorophenyl)piperazine (CID 25066913) is 1-[3-[5-(4-chlorophenyl)-1-phenylpyrazol-3-yl]propyl]-4-(2-fluorophenyl)piperazine.
What is the SMILES notation for 1-[3-[5-(4-chlorophenyl)-1-phenylpyrazol-3-yl]propyl]-4-(2-fluorophenyl)piperazine?
The canonical SMILES for 1-[3-[5-(4-chlorophenyl)-1-phenylpyrazol-3-yl]propyl]-4-(2-fluorophenyl)piperazine is Fc1ccccc1N1CCN(CCCc2cc(-c3ccc(Cl)cc3)n(-c3ccccc3)n2)CC1.
What is the InChIKey of 1-[3-[5-(4-chlorophenyl)-1-phenylpyrazol-3-yl]propyl]-4-(2-fluorophenyl)piperazine?
The InChIKey is JULYKTSSZWFBQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28ClFN4/c29-23-14-12-22(13-15-23)28-21-24(31-34(28)25-8-2-1-3-9-25)7-6-16-32-17-19-33(20-18-32)27-11-5-4-10-26(27)30/h1-5,8-15,21H,6-7,16-20H2.
What are the key properties of 1-[3-[5-(4-chlorophenyl)-1-phenylpyrazol-3-yl]propyl]-4-(2-fluorophenyl)piperazine?
1-[3-[5-(4-chlorophenyl)-1-phenylpyrazol-3-yl]propyl]-4-(2-fluorophenyl)piperazine has a molecular weight of 475.01 g/mol, XLogP of 6.09, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[5-(4-chlorophenyl)-1-phenylpyrazol-3-yl]propyl]-4-(2-fluorophenyl)piperazine is sourced from PubChem (CID 25066913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).