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

C30H33FN4 — CID 25064429

IUPAC1-(2,3-dimethylphenyl)-4-[3-[5-(4-fluorophenyl)-1-phenylpyrazol-3-yl]propyl]piperazine
SMILESCc1cccc(N2CCN(CCCc3cc(-c4ccc(F)cc4)n(-c4ccccc4)n3)CC2)c1C
InChIInChI=1S/C30H33FN4/c1-23-8-6-12-29(24(23)2)34-20-18-33(19-21-34)17-7-9-27-22-30(25-13-15-26(31)16-14-25)35(32-27)28-10-4-3-5-11-28/h3-6,8,10-16,22H,7,9,17-21H2,1-2H3
InChIKeyKDAMWUCXFDPZBI-UHFFFAOYSA-N
MW468.62 g/mol
LogP6.05
Rot. Bonds7

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

1-(2,3-dimethylphenyl)-4-[3-[5-(4-fluorophenyl)-1-phenylpyrazol-3-yl]propyl]piperazine (PubChem CID 25064429) has the molecular formula C30H33FN4 and a molecular weight of 468.62 g/mol. Its IUPAC name is 1-(2,3-dimethylphenyl)-4-[3-[5-(4-fluorophenyl)-1-phenylpyrazol-3-yl]propyl]piperazine.

Molecular Properties

Compound Name1-(2,3-dimethylphenyl)-4-[3-[5-(4-fluorophenyl)-1-phenylpyrazol-3-yl]propyl]piperazine
PubChem CID25064429
Molecular FormulaC30H33FN4
Molecular Weight468.62 g/mol
Exact Mass468.27
IUPAC Name1-(2,3-dimethylphenyl)-4-[3-[5-(4-fluorophenyl)-1-phenylpyrazol-3-yl]propyl]piperazine
SMILESCc1cccc(N2CCN(CCCc3cc(-c4ccc(F)cc4)n(-c4ccccc4)n3)CC2)c1C
InChIInChI=1S/C30H33FN4/c1-23-8-6-12-29(24(23)2)34-20-18-33(19-21-34)17-7-9-27-22-30(25-13-15-26(31)16-14-25)35(32-27)28-10-4-3-5-11-28/h3-6,8,10-16,22H,7,9,17-21H2,1-2H3
InChIKeyKDAMWUCXFDPZBI-UHFFFAOYSA-N
XLogP6.05
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.62
LogP ≤ 56.05
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-[3-[5-(4-chlorophenyl)-1-phenylpyrazol-3-yl]propyl]-4-(2-fluorophenyl)piperazine
CID 25066913
1-(2,4-dimethylphenyl)-4-[3-(1,5-diphenylpyrazol-3-yl)propyl]piperazine
CID 25065047
3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-[(1-phenyl-5-propylpyrazol-3-yl)methyl]propan-1-amine
CID 68974455
1-[3-[3-butyl-1-(4-methylphenyl)pyrazol-5-yl]propyl]-4-(2-fluorophenyl)piperazine
CID 68559610
N-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propyl]-1-(4-fluorophenyl)-2-methyl-5-phenylpyrrole-3-carboxamide
CID 45278885
1-[3-[1-tert-butyl-5-(4-methylphenyl)pyrazol-3-yl]propyl]-4-phenylpiperazine
CID 25065259
1-(2,4-dimethylphenyl)-4-[3-(1-phenyl-3-propylpyrazol-5-yl)propyl]piperazine
CID 68559968
[5-(4-fluorophenyl)-1-(2-methylphenyl)pyrazol-3-yl]methanamine
CID 82072215
1-[4-[5-(methoxymethyl)-1-phenylpyrazol-3-yl]butyl]-4-(2-methoxyphenyl)piperazine
CID 142706669
1-[3-[1-tert-butyl-5-(4-methoxyphenyl)pyrazol-3-yl]propyl]-4-phenylpiperazine
CID 25065874
1-(2,3-dimethylphenyl)-4-[[4-(4-fluorophenyl)-1,2,4-triazol-3-yl]methyl]piperazine
CID 56705553

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylphenyl)-4-[3-[5-(4-fluorophenyl)-1-phenylpyrazol-3-yl]propyl]piperazine?
The IUPAC name of 1-(2,3-dimethylphenyl)-4-[3-[5-(4-fluorophenyl)-1-phenylpyrazol-3-yl]propyl]piperazine (CID 25064429) is 1-(2,3-dimethylphenyl)-4-[3-[5-(4-fluorophenyl)-1-phenylpyrazol-3-yl]propyl]piperazine.
What is the SMILES notation for 1-(2,3-dimethylphenyl)-4-[3-[5-(4-fluorophenyl)-1-phenylpyrazol-3-yl]propyl]piperazine?
The canonical SMILES for 1-(2,3-dimethylphenyl)-4-[3-[5-(4-fluorophenyl)-1-phenylpyrazol-3-yl]propyl]piperazine is Cc1cccc(N2CCN(CCCc3cc(-c4ccc(F)cc4)n(-c4ccccc4)n3)CC2)c1C.
What is the InChIKey of 1-(2,3-dimethylphenyl)-4-[3-[5-(4-fluorophenyl)-1-phenylpyrazol-3-yl]propyl]piperazine?
The InChIKey is KDAMWUCXFDPZBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33FN4/c1-23-8-6-12-29(24(23)2)34-20-18-33(19-21-34)17-7-9-27-22-30(25-13-15-26(31)16-14-25)35(32-27)28-10-4-3-5-11-28/h3-6,8,10-16,22H,7,9,17-21H2,1-2H3.
What are the key properties of 1-(2,3-dimethylphenyl)-4-[3-[5-(4-fluorophenyl)-1-phenylpyrazol-3-yl]propyl]piperazine?
1-(2,3-dimethylphenyl)-4-[3-[5-(4-fluorophenyl)-1-phenylpyrazol-3-yl]propyl]piperazine has a molecular weight of 468.62 g/mol, XLogP of 6.05, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylphenyl)-4-[3-[5-(4-fluorophenyl)-1-phenylpyrazol-3-yl]propyl]piperazine is sourced from PubChem (CID 25064429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).