1-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-2-(2-methoxyphenyl)piperazine;hydrochloride

C21H24ClFN4O — CID 120767304

IUPAC1-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-2-(2-methoxyphenyl)piperazine;hydrochloride
SMILESCOc1ccccc1C1CNCCN1Cc1cnn(-c2ccc(F)cc2)c1.Cl
InChIInChI=1S/C21H23FN4O.ClH/c1-27-21-5-3-2-4-19(21)20-13-23-10-11-25(20)14-16-12-24-26(15-16)18-8-6-17(22)7-9-18;/h2-9,12,15,20,23H,10-11,13-14H2,1H3;1H
InChIKeyPXJOJLQKASWQJR-UHFFFAOYSA-N
MW402.90 g/mol
LogP3.59
Rot. Bonds5

About 1-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-2-(2-methoxyphenyl)piperazine;hydrochloride

1-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-2-(2-methoxyphenyl)piperazine;hydrochloride (PubChem CID 120767304) has the molecular formula C21H24ClFN4O and a molecular weight of 402.90 g/mol. Its IUPAC name is 1-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-2-(2-methoxyphenyl)piperazine;hydrochloride.

Molecular Properties

Compound Name1-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-2-(2-methoxyphenyl)piperazine;hydrochloride
PubChem CID120767304
Molecular FormulaC21H24ClFN4O
Molecular Weight402.90 g/mol
Exact Mass402.16
IUPAC Name1-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-2-(2-methoxyphenyl)piperazine;hydrochloride
SMILESCOc1ccccc1C1CNCCN1Cc1cnn(-c2ccc(F)cc2)c1.Cl
InChIInChI=1S/C21H23FN4O.ClH/c1-27-21-5-3-2-4-19(21)20-13-23-10-11-25(20)14-16-12-24-26(15-16)18-8-6-17(22)7-9-18;/h2-9,12,15,20,23H,10-11,13-14H2,1H3;1H
InChIKeyPXJOJLQKASWQJR-UHFFFAOYSA-N
XLogP3.59
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.90
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-2-(2-methoxyphenyl)piperazine;hydrochloride with MolForge

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

Launch Full Analysis

Related Compounds

1-[(1-tert-butylpyrazol-4-yl)methyl]-2-(2-methoxyphenyl)piperazine;hydrochloride
CID 120767459
1-[(1-tert-butylpyrazol-4-yl)methyl]-2-(2-methoxyphenyl)piperazine
CID 120767460
1-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-2-pyridin-4-ylpiperazine
CID 120910502
2-(2-methoxyphenyl)-1-[(6-methyl-3-pyridinyl)methyl]piperazine;hydrochloride
CID 120767246
1-[(2,4-difluorophenyl)methyl]-2-(2-methoxyphenyl)piperazine;hydrochloride
CID 120753939
2-(2-methoxyphenyl)-1-[(2-phenyltriazol-4-yl)methyl]piperazine
CID 120753605
1-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(2-methoxyphenyl)piperazine
CID 120767394
2-[[(2R)-2-(2-methoxyphenyl)piperazin-1-yl]methyl]-1,3-thiazole
CID 124943474
2-(2-methoxyphenyl)-1-(1H-pyrazol-5-ylmethyl)piperazine;hydrochloride
CID 120767431
1-[(5-bromo-2-pyridinyl)methyl]-2-(2-methoxyphenyl)piperazine;hydrochloride
CID 120767381
2-(2-methoxyphenyl)-1-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methyl]piperazine;hydrochloride
CID 120767337
2-(2-methoxyphenyl)-1-[(5-methyl-2-pyridinyl)methyl]piperazine
CID 120767478

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-2-(2-methoxyphenyl)piperazine;hydrochloride?
The IUPAC name of 1-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-2-(2-methoxyphenyl)piperazine;hydrochloride (CID 120767304) is 1-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-2-(2-methoxyphenyl)piperazine;hydrochloride.
What is the SMILES notation for 1-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-2-(2-methoxyphenyl)piperazine;hydrochloride?
The canonical SMILES for 1-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-2-(2-methoxyphenyl)piperazine;hydrochloride is COc1ccccc1C1CNCCN1Cc1cnn(-c2ccc(F)cc2)c1.Cl.
What is the InChIKey of 1-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-2-(2-methoxyphenyl)piperazine;hydrochloride?
The InChIKey is PXJOJLQKASWQJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN4O.ClH/c1-27-21-5-3-2-4-19(21)20-13-23-10-11-25(20)14-16-12-24-26(15-16)18-8-6-17(22)7-9-18;/h2-9,12,15,20,23H,10-11,13-14H2,1H3;1H.
What are the key properties of 1-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-2-(2-methoxyphenyl)piperazine;hydrochloride?
1-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-2-(2-methoxyphenyl)piperazine;hydrochloride has a molecular weight of 402.90 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-2-(2-methoxyphenyl)piperazine;hydrochloride is sourced from PubChem (CID 120767304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).