1-[3-[3-butyl-1-(4-methylphenyl)pyrazol-5-yl]propyl]-4-(2-fluorophenyl)piperazine

C27H35FN4 — CID 68559610

IUPAC1-[3-[3-butyl-1-(4-methylphenyl)pyrazol-5-yl]propyl]-4-(2-fluorophenyl)piperazine
SMILESCCCCc1cc(CCCN2CCN(c3ccccc3F)CC2)n(-c2ccc(C)cc2)n1
InChIInChI=1S/C27H35FN4/c1-3-4-8-23-21-25(32(29-23)24-14-12-22(2)13-15-24)9-7-16-30-17-19-31(20-18-30)27-11-6-5-10-26(27)28/h5-6,10-15,21H,3-4,7-9,16-20H2,1-2H3
InChIKeyHBSFLMNDYXSKHF-UHFFFAOYSA-N
MW434.60 g/mol
LogP5.42
Rot. Bonds9

About 1-[3-[3-butyl-1-(4-methylphenyl)pyrazol-5-yl]propyl]-4-(2-fluorophenyl)piperazine

1-[3-[3-butyl-1-(4-methylphenyl)pyrazol-5-yl]propyl]-4-(2-fluorophenyl)piperazine (PubChem CID 68559610) has the molecular formula C27H35FN4 and a molecular weight of 434.60 g/mol. Its IUPAC name is 1-[3-[3-butyl-1-(4-methylphenyl)pyrazol-5-yl]propyl]-4-(2-fluorophenyl)piperazine.

Molecular Properties

Compound Name1-[3-[3-butyl-1-(4-methylphenyl)pyrazol-5-yl]propyl]-4-(2-fluorophenyl)piperazine
PubChem CID68559610
Molecular FormulaC27H35FN4
Molecular Weight434.60 g/mol
Exact Mass434.28
IUPAC Name1-[3-[3-butyl-1-(4-methylphenyl)pyrazol-5-yl]propyl]-4-(2-fluorophenyl)piperazine
SMILESCCCCc1cc(CCCN2CCN(c3ccccc3F)CC2)n(-c2ccc(C)cc2)n1
InChIInChI=1S/C27H35FN4/c1-3-4-8-23-21-25(32(29-23)24-14-12-22(2)13-15-24)9-7-16-30-17-19-31(20-18-30)27-11-6-5-10-26(27)28/h5-6,10-15,21H,3-4,7-9,16-20H2,1-2H3
InChIKeyHBSFLMNDYXSKHF-UHFFFAOYSA-N
XLogP5.42
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.60
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,4-dimethylphenyl)-4-[3-(1-phenyl-3-propylpyrazol-5-yl)propyl]piperazine
CID 68559968
1-[3-[5-(4-chlorophenyl)-1-phenylpyrazol-3-yl]propyl]-4-(2-fluorophenyl)piperazine
CID 25066913
1-(4-chlorophenyl)-4-[3-(1-phenyl-5-propylpyrazol-3-yl)propyl]piperazine
CID 68557259
1-(3,4-dimethylphenyl)-4-[3-(1-phenyl-3-propylpyrazol-5-yl)propyl]piperazine;hydrochloride
CID 71766546
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
3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-[(1-phenyl-5-propylpyrazol-3-yl)methyl]propan-1-amine
CID 68974455
1-[4-[5-(methoxymethyl)-1-phenylpyrazol-3-yl]butyl]-4-(2-methoxyphenyl)piperazine
CID 142706669
1-[3-[5-(4-fluorophenyl)-1-phenylpyrazol-3-yl]propyl]-4-phenylpiperazine
CID 25064222
2-[3-[4-(2-fluorophenyl)piperazin-1-yl]propylamino]-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 86901810
6-[4-(2-fluorophenyl)piperazin-1-yl]hexan-1-amine
CID 60918157
5-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-1,3,4-thiadiazol-2-amine;hydrochloride
CID 19932960

Frequently Asked Questions

What is the IUPAC name of 1-[3-[3-butyl-1-(4-methylphenyl)pyrazol-5-yl]propyl]-4-(2-fluorophenyl)piperazine?
The IUPAC name of 1-[3-[3-butyl-1-(4-methylphenyl)pyrazol-5-yl]propyl]-4-(2-fluorophenyl)piperazine (CID 68559610) is 1-[3-[3-butyl-1-(4-methylphenyl)pyrazol-5-yl]propyl]-4-(2-fluorophenyl)piperazine.
What is the SMILES notation for 1-[3-[3-butyl-1-(4-methylphenyl)pyrazol-5-yl]propyl]-4-(2-fluorophenyl)piperazine?
The canonical SMILES for 1-[3-[3-butyl-1-(4-methylphenyl)pyrazol-5-yl]propyl]-4-(2-fluorophenyl)piperazine is CCCCc1cc(CCCN2CCN(c3ccccc3F)CC2)n(-c2ccc(C)cc2)n1.
What is the InChIKey of 1-[3-[3-butyl-1-(4-methylphenyl)pyrazol-5-yl]propyl]-4-(2-fluorophenyl)piperazine?
The InChIKey is HBSFLMNDYXSKHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35FN4/c1-3-4-8-23-21-25(32(29-23)24-14-12-22(2)13-15-24)9-7-16-30-17-19-31(20-18-30)27-11-6-5-10-26(27)28/h5-6,10-15,21H,3-4,7-9,16-20H2,1-2H3.
What are the key properties of 1-[3-[3-butyl-1-(4-methylphenyl)pyrazol-5-yl]propyl]-4-(2-fluorophenyl)piperazine?
1-[3-[3-butyl-1-(4-methylphenyl)pyrazol-5-yl]propyl]-4-(2-fluorophenyl)piperazine has a molecular weight of 434.60 g/mol, XLogP of 5.42, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[3-butyl-1-(4-methylphenyl)pyrazol-5-yl]propyl]-4-(2-fluorophenyl)piperazine is sourced from PubChem (CID 68559610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).