2-(4-chlorophenyl)-3-[4-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]piperazin-1-yl]pyrazine

C26H27ClN6 — CID 59321841

IUPAC2-(4-chlorophenyl)-3-[4-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]piperazin-1-yl]pyrazine
SMILESCc1nn(-c2ccccc2)c(C)c1CN1CCN(c2nccnc2-c2ccc(Cl)cc2)CC1
InChIInChI=1S/C26H27ClN6/c1-19-24(20(2)33(30-19)23-6-4-3-5-7-23)18-31-14-16-32(17-15-31)26-25(28-12-13-29-26)21-8-10-22(27)11-9-21/h3-13H,14-18H2,1-2H3
InChIKeyHFTIUCFCVNRWIJ-UHFFFAOYSA-N
MW459.00 g/mol
LogP4.92
Rot. Bonds5

About 2-(4-chlorophenyl)-3-[4-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]piperazin-1-yl]pyrazine

2-(4-chlorophenyl)-3-[4-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]piperazin-1-yl]pyrazine (PubChem CID 59321841) has the molecular formula C26H27ClN6 and a molecular weight of 459.00 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-3-[4-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]piperazin-1-yl]pyrazine.

Molecular Properties

Compound Name2-(4-chlorophenyl)-3-[4-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]piperazin-1-yl]pyrazine
PubChem CID59321841
Molecular FormulaC26H27ClN6
Molecular Weight459.00 g/mol
Exact Mass458.20
IUPAC Name2-(4-chlorophenyl)-3-[4-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]piperazin-1-yl]pyrazine
SMILESCc1nn(-c2ccccc2)c(C)c1CN1CCN(c2nccnc2-c2ccc(Cl)cc2)CC1
InChIInChI=1S/C26H27ClN6/c1-19-24(20(2)33(30-19)23-6-4-3-5-7-23)18-31-14-16-32(17-15-31)26-25(28-12-13-29-26)21-8-10-22(27)11-9-21/h3-13H,14-18H2,1-2H3
InChIKeyHFTIUCFCVNRWIJ-UHFFFAOYSA-N
XLogP4.92
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.00
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-[(3,5-dimethyl-1-pyridin-4-ylpyrazol-4-yl)methyl]piperazin-1-yl]-3-(4-fluorophenyl)pyrazine
CID 59321922
2-(4-fluorophenyl)-3-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazin-1-yl]pyrazine
CID 59321824
2-[4-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]-3-chloropyrazine
CID 59438255
2-[4-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]-3-(4-fluorophenyl)pyrazine;hydrochloride
CID 68596950
2-[4-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]piperazin-1-yl]ethanol
CID 110880028
1-[4-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]piperazin-1-yl]ethanone
CID 19331795
2-(4-propan-2-yloxyphenyl)-3-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazin-1-yl]pyrazine
CID 59321952
1-[[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]azetidine-3-carboxylic acid
CID 122046745
1-(3,5-dimethyl-1-phenylpyrazol-4-yl)-4-(pyridin-2-ylmethyl)piperazine
CID 90507607
[1-[3-[4-[(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)methyl]piperazin-1-yl]pyrazin-2-yl]piperidin-4-yl]methanol
CID 59438247
1-[(3-chlorophenyl)methyl]-4-(3,5-dimethyl-1-phenylpyrazol-4-yl)piperazine
CID 90507605
1-[(4-chlorophenyl)methyl]-4-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)piperazine
CID 90508059

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-3-[4-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]piperazin-1-yl]pyrazine?
The IUPAC name of 2-(4-chlorophenyl)-3-[4-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]piperazin-1-yl]pyrazine (CID 59321841) is 2-(4-chlorophenyl)-3-[4-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]piperazin-1-yl]pyrazine.
What is the SMILES notation for 2-(4-chlorophenyl)-3-[4-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]piperazin-1-yl]pyrazine?
The canonical SMILES for 2-(4-chlorophenyl)-3-[4-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]piperazin-1-yl]pyrazine is Cc1nn(-c2ccccc2)c(C)c1CN1CCN(c2nccnc2-c2ccc(Cl)cc2)CC1.
What is the InChIKey of 2-(4-chlorophenyl)-3-[4-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]piperazin-1-yl]pyrazine?
The InChIKey is HFTIUCFCVNRWIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27ClN6/c1-19-24(20(2)33(30-19)23-6-4-3-5-7-23)18-31-14-16-32(17-15-31)26-25(28-12-13-29-26)21-8-10-22(27)11-9-21/h3-13H,14-18H2,1-2H3.
What are the key properties of 2-(4-chlorophenyl)-3-[4-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]piperazin-1-yl]pyrazine?
2-(4-chlorophenyl)-3-[4-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]piperazin-1-yl]pyrazine has a molecular weight of 459.00 g/mol, XLogP of 4.92, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-3-[4-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]piperazin-1-yl]pyrazine is sourced from PubChem (CID 59321841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).