1-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-4-phenylpiperazine

C20H21ClN4 — CID 11624518

IUPAC1-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-4-phenylpiperazine
SMILESClc1ccc(-n2cc(CN3CCN(c4ccccc4)CC3)cn2)cc1
InChIInChI=1S/C20H21ClN4/c21-18-6-8-20(9-7-18)25-16-17(14-22-25)15-23-10-12-24(13-11-23)19-4-2-1-3-5-19/h1-9,14,16H,10-13,15H2
InChIKeyMHJWMIITIMUUKU-UHFFFAOYSA-N
MW352.87 g/mol
LogP3.85
Rot. Bonds4

About 1-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-4-phenylpiperazine

1-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-4-phenylpiperazine (PubChem CID 11624518) has the molecular formula C20H21ClN4 and a molecular weight of 352.87 g/mol. Its IUPAC name is 1-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-4-phenylpiperazine.

Molecular Properties

Compound Name1-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-4-phenylpiperazine
PubChem CID11624518
Molecular FormulaC20H21ClN4
Molecular Weight352.87 g/mol
Exact Mass352.15
IUPAC Name1-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-4-phenylpiperazine
SMILESClc1ccc(-n2cc(CN3CCN(c4ccccc4)CC3)cn2)cc1
InChIInChI=1S/C20H21ClN4/c21-18-6-8-20(9-7-18)25-16-17(14-22-25)15-23-10-12-24(13-11-23)19-4-2-1-3-5-19/h1-9,14,16H,10-13,15H2
InChIKeyMHJWMIITIMUUKU-UHFFFAOYSA-N
XLogP3.85
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.87
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-4-phenylpiperazine?
The IUPAC name of 1-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-4-phenylpiperazine (CID 11624518) is 1-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-4-phenylpiperazine.
What is the SMILES notation for 1-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-4-phenylpiperazine?
The canonical SMILES for 1-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-4-phenylpiperazine is Clc1ccc(-n2cc(CN3CCN(c4ccccc4)CC3)cn2)cc1.
What is the InChIKey of 1-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-4-phenylpiperazine?
The InChIKey is MHJWMIITIMUUKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN4/c21-18-6-8-20(9-7-18)25-16-17(14-22-25)15-23-10-12-24(13-11-23)19-4-2-1-3-5-19/h1-9,14,16H,10-13,15H2.
What are the key properties of 1-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-4-phenylpiperazine?
1-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-4-phenylpiperazine has a molecular weight of 352.87 g/mol, XLogP of 3.85, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-4-phenylpiperazine is sourced from PubChem (CID 11624518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).