2-[4-[(5-chloro-1-methylpyrazol-4-yl)methyl]piperazin-1-yl]-3-(4-fluorophenyl)pyrazine

C19H20ClFN6 — CID 59321838

IUPAC2-[4-[(5-chloro-1-methylpyrazol-4-yl)methyl]piperazin-1-yl]-3-(4-fluorophenyl)pyrazine
SMILESCn1ncc(CN2CCN(c3nccnc3-c3ccc(F)cc3)CC2)c1Cl
InChIInChI=1S/C19H20ClFN6/c1-25-18(20)15(12-24-25)13-26-8-10-27(11-9-26)19-17(22-6-7-23-19)14-2-4-16(21)5-3-14/h2-7,12H,8-11,13H2,1H3
InChIKeyFNMJCPNBQKGXPX-UHFFFAOYSA-N
MW386.86 g/mol
LogP2.99
Rot. Bonds4

About 2-[4-[(5-chloro-1-methylpyrazol-4-yl)methyl]piperazin-1-yl]-3-(4-fluorophenyl)pyrazine

2-[4-[(5-chloro-1-methylpyrazol-4-yl)methyl]piperazin-1-yl]-3-(4-fluorophenyl)pyrazine (PubChem CID 59321838) has the molecular formula C19H20ClFN6 and a molecular weight of 386.86 g/mol. Its IUPAC name is 2-[4-[(5-chloro-1-methylpyrazol-4-yl)methyl]piperazin-1-yl]-3-(4-fluorophenyl)pyrazine.

Molecular Properties

Compound Name2-[4-[(5-chloro-1-methylpyrazol-4-yl)methyl]piperazin-1-yl]-3-(4-fluorophenyl)pyrazine
PubChem CID59321838
Molecular FormulaC19H20ClFN6
Molecular Weight386.86 g/mol
Exact Mass386.14
IUPAC Name2-[4-[(5-chloro-1-methylpyrazol-4-yl)methyl]piperazin-1-yl]-3-(4-fluorophenyl)pyrazine
SMILESCn1ncc(CN2CCN(c3nccnc3-c3ccc(F)cc3)CC2)c1Cl
InChIInChI=1S/C19H20ClFN6/c1-25-18(20)15(12-24-25)13-26-8-10-27(11-9-26)19-17(22-6-7-23-19)14-2-4-16(21)5-3-14/h2-7,12H,8-11,13H2,1H3
InChIKeyFNMJCPNBQKGXPX-UHFFFAOYSA-N
XLogP2.99
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.86
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[4-[(5-chloro-1-methylpyrazol-4-yl)methyl]piperazin-1-yl]-3-(4-fluorophenyl)pyrazine 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

2-[4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]-3-(4-methylphenyl)pyrazine
CID 59322064
2-[4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]-3-(4-methoxyphenyl)pyrazine
CID 59322079
2-(4-fluorophenyl)-3-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazin-1-yl]pyrazine
CID 59321824
2-[4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]-3-(4-ethoxyphenyl)pyrazine
CID 59321866
1-[4-[3-[4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]pyrazin-2-yl]phenyl]ethanamine
CID 70915375
2-[4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]-3-[4-(1,2,4-triazol-1-ylmethyl)phenyl]pyrazine;hydrochloride
CID 68595057
2-(4-fluorophenyl)-3-[4-(1H-pyrazol-4-ylmethyl)piperazin-1-yl]pyrazine;hydrochloride
CID 68597368
(2R)-1-[4-[[4-[3-(4-fluorophenyl)pyrazin-2-yl]piperazin-1-yl]methyl]pyrazol-1-yl]-3-methylbutan-2-ol;hydrochloride
CID 68594772
2-[4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]-3-[2-fluoro-3-(trifluoromethyl)phenyl]pyrazine
CID 59321821
N-[[4-[3-[4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]pyrazin-2-yl]phenyl]methyl]methanesulfonamide
CID 59321840
2-[4-[3-[4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]pyrazin-2-yl]phenoxy]acetamide;hydrochloride
CID 68594159
1,1,1-trifluoro-3-[4-[[4-[3-(4-fluorophenyl)pyrazin-2-yl]piperazin-1-yl]methyl]pyrazol-1-yl]propan-2-ol
CID 59321888

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(5-chloro-1-methylpyrazol-4-yl)methyl]piperazin-1-yl]-3-(4-fluorophenyl)pyrazine?
The IUPAC name of 2-[4-[(5-chloro-1-methylpyrazol-4-yl)methyl]piperazin-1-yl]-3-(4-fluorophenyl)pyrazine (CID 59321838) is 2-[4-[(5-chloro-1-methylpyrazol-4-yl)methyl]piperazin-1-yl]-3-(4-fluorophenyl)pyrazine.
What is the SMILES notation for 2-[4-[(5-chloro-1-methylpyrazol-4-yl)methyl]piperazin-1-yl]-3-(4-fluorophenyl)pyrazine?
The canonical SMILES for 2-[4-[(5-chloro-1-methylpyrazol-4-yl)methyl]piperazin-1-yl]-3-(4-fluorophenyl)pyrazine is Cn1ncc(CN2CCN(c3nccnc3-c3ccc(F)cc3)CC2)c1Cl.
What is the InChIKey of 2-[4-[(5-chloro-1-methylpyrazol-4-yl)methyl]piperazin-1-yl]-3-(4-fluorophenyl)pyrazine?
The InChIKey is FNMJCPNBQKGXPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClFN6/c1-25-18(20)15(12-24-25)13-26-8-10-27(11-9-26)19-17(22-6-7-23-19)14-2-4-16(21)5-3-14/h2-7,12H,8-11,13H2,1H3.
What are the key properties of 2-[4-[(5-chloro-1-methylpyrazol-4-yl)methyl]piperazin-1-yl]-3-(4-fluorophenyl)pyrazine?
2-[4-[(5-chloro-1-methylpyrazol-4-yl)methyl]piperazin-1-yl]-3-(4-fluorophenyl)pyrazine has a molecular weight of 386.86 g/mol, XLogP of 2.99, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(5-chloro-1-methylpyrazol-4-yl)methyl]piperazin-1-yl]-3-(4-fluorophenyl)pyrazine is sourced from PubChem (CID 59321838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).