1-(3-chlorophenyl)-4-[[3-(4-fluorophenyl)-3H-pyrazol-4-yl]methyl]piperazine

C20H20ClFN4 — CID 163825319

IUPAC1-(3-chlorophenyl)-4-[[3-(4-fluorophenyl)-3H-pyrazol-4-yl]methyl]piperazine
SMILESFc1ccc(C2N=NC=C2CN2CCN(c3cccc(Cl)c3)CC2)cc1
InChIInChI=1S/C20H20ClFN4/c21-17-2-1-3-19(12-17)26-10-8-25(9-11-26)14-16-13-23-24-20(16)15-4-6-18(22)7-5-15/h1-7,12-13,20H,8-11,14H2
InChIKeyNYYVFYRKAZXDME-UHFFFAOYSA-N
MW370.86 g/mol
LogP4.69
Rot. Bonds4

About 1-(3-chlorophenyl)-4-[[3-(4-fluorophenyl)-3H-pyrazol-4-yl]methyl]piperazine

1-(3-chlorophenyl)-4-[[3-(4-fluorophenyl)-3H-pyrazol-4-yl]methyl]piperazine (PubChem CID 163825319) has the molecular formula C20H20ClFN4 and a molecular weight of 370.86 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-4-[[3-(4-fluorophenyl)-3H-pyrazol-4-yl]methyl]piperazine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-4-[[3-(4-fluorophenyl)-3H-pyrazol-4-yl]methyl]piperazine
PubChem CID163825319
Molecular FormulaC20H20ClFN4
Molecular Weight370.86 g/mol
Exact Mass370.14
IUPAC Name1-(3-chlorophenyl)-4-[[3-(4-fluorophenyl)-3H-pyrazol-4-yl]methyl]piperazine
SMILESFc1ccc(C2N=NC=C2CN2CCN(c3cccc(Cl)c3)CC2)cc1
InChIInChI=1S/C20H20ClFN4/c21-17-2-1-3-19(12-17)26-10-8-25(9-11-26)14-16-13-23-24-20(16)15-4-6-18(22)7-5-15/h1-7,12-13,20H,8-11,14H2
InChIKeyNYYVFYRKAZXDME-UHFFFAOYSA-N
XLogP4.69
TPSA31.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.86
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-chlorophenyl)-4-[(4-fluorophenyl)methyl]piperazine
CID 763195
2-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]pyrimidine
CID 171909306
4-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-2-(4-fluorophenyl)-5-methyl-1,3-oxazole
CID 42094310
2,3-bis[[4-(3-chlorophenyl)piperazin-1-yl]methyl]benzo[g]quinoxaline;hydrochloride
CID 70163649
2-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-5-cyclopropyl-1,3,4-oxadiazole
CID 47520514
1-(3-chlorophenyl)-4-[(2-chloro-4-pyridinyl)methyl]piperazine
CID 62047060
1-(3-chlorophenyl)-4-(4-fluorophenyl)sulfonylpiperazine
CID 1068546
4-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]benzoic acid
CID 751483
5-chloro-4-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]thiadiazole
CID 36839861
2-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-5-propan-2-yl-1,3,4-oxadiazole
CID 51108336
2-[4-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]phenyl]acetic acid
CID 20991836
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(2,5-difluorophenyl)acetamide
CID 3472016

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-4-[[3-(4-fluorophenyl)-3H-pyrazol-4-yl]methyl]piperazine?
The IUPAC name of 1-(3-chlorophenyl)-4-[[3-(4-fluorophenyl)-3H-pyrazol-4-yl]methyl]piperazine (CID 163825319) is 1-(3-chlorophenyl)-4-[[3-(4-fluorophenyl)-3H-pyrazol-4-yl]methyl]piperazine.
What is the SMILES notation for 1-(3-chlorophenyl)-4-[[3-(4-fluorophenyl)-3H-pyrazol-4-yl]methyl]piperazine?
The canonical SMILES for 1-(3-chlorophenyl)-4-[[3-(4-fluorophenyl)-3H-pyrazol-4-yl]methyl]piperazine is Fc1ccc(C2N=NC=C2CN2CCN(c3cccc(Cl)c3)CC2)cc1.
What is the InChIKey of 1-(3-chlorophenyl)-4-[[3-(4-fluorophenyl)-3H-pyrazol-4-yl]methyl]piperazine?
The InChIKey is NYYVFYRKAZXDME-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClFN4/c21-17-2-1-3-19(12-17)26-10-8-25(9-11-26)14-16-13-23-24-20(16)15-4-6-18(22)7-5-15/h1-7,12-13,20H,8-11,14H2.
What are the key properties of 1-(3-chlorophenyl)-4-[[3-(4-fluorophenyl)-3H-pyrazol-4-yl]methyl]piperazine?
1-(3-chlorophenyl)-4-[[3-(4-fluorophenyl)-3H-pyrazol-4-yl]methyl]piperazine has a molecular weight of 370.86 g/mol, XLogP of 4.69, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-4-[[3-(4-fluorophenyl)-3H-pyrazol-4-yl]methyl]piperazine is sourced from PubChem (CID 163825319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).