1-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-4-(2-fluorophenyl)piperazine

C20H20ClFN4 — CID 3432277

IUPAC1-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-4-(2-fluorophenyl)piperazine
SMILESFc1ccccc1N1CCN(Cc2cn[nH]c2-c2ccc(Cl)cc2)CC1
InChIInChI=1S/C20H20ClFN4/c21-17-7-5-15(6-8-17)20-16(13-23-24-20)14-25-9-11-26(12-10-25)19-4-2-1-3-18(19)22/h1-8,13H,9-12,14H2,(H,23,24)
InChIKeyJTNFKFIELHPEOJ-UHFFFAOYSA-N
MW370.86 g/mol
LogP4.19
Rot. Bonds4

About 1-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-4-(2-fluorophenyl)piperazine

1-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-4-(2-fluorophenyl)piperazine (PubChem CID 3432277) has the molecular formula C20H20ClFN4 and a molecular weight of 370.86 g/mol. Its IUPAC name is 1-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-4-(2-fluorophenyl)piperazine.

Molecular Properties

Compound Name1-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-4-(2-fluorophenyl)piperazine
PubChem CID3432277
Molecular FormulaC20H20ClFN4
Molecular Weight370.86 g/mol
Exact Mass370.14
IUPAC Name1-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-4-(2-fluorophenyl)piperazine
SMILESFc1ccccc1N1CCN(Cc2cn[nH]c2-c2ccc(Cl)cc2)CC1
InChIInChI=1S/C20H20ClFN4/c21-17-7-5-15(6-8-17)20-16(13-23-24-20)14-25-9-11-26(12-10-25)19-4-2-1-3-18(19)22/h1-8,13H,9-12,14H2,(H,23,24)
InChIKeyJTNFKFIELHPEOJ-UHFFFAOYSA-N
XLogP4.19
TPSA35.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.86
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-4-(2-fluorophenyl)piperazine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-4-(2-fluorophenyl)piperazine?
The IUPAC name of 1-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-4-(2-fluorophenyl)piperazine (CID 3432277) is 1-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-4-(2-fluorophenyl)piperazine.
What is the SMILES notation for 1-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-4-(2-fluorophenyl)piperazine?
The canonical SMILES for 1-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-4-(2-fluorophenyl)piperazine is Fc1ccccc1N1CCN(Cc2cn[nH]c2-c2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-4-(2-fluorophenyl)piperazine?
The InChIKey is JTNFKFIELHPEOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClFN4/c21-17-7-5-15(6-8-17)20-16(13-23-24-20)14-25-9-11-26(12-10-25)19-4-2-1-3-18(19)22/h1-8,13H,9-12,14H2,(H,23,24).
What are the key properties of 1-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-4-(2-fluorophenyl)piperazine?
1-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-4-(2-fluorophenyl)piperazine has a molecular weight of 370.86 g/mol, XLogP of 4.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-4-(2-fluorophenyl)piperazine is sourced from PubChem (CID 3432277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).