2-(5-chloro-4-methyl-3-phenylpyrazol-1-yl)pyrazine

C14H11ClN4 — CID 104847570

IUPAC2-(5-chloro-4-methyl-3-phenylpyrazol-1-yl)pyrazine
SMILESCc1c(-c2ccccc2)nn(-c2cnccn2)c1Cl
InChIInChI=1S/C14H11ClN4/c1-10-13(11-5-3-2-4-6-11)18-19(14(10)15)12-9-16-7-8-17-12/h2-9H,1H3
InChIKeyPQMJIRKCRDMTSB-UHFFFAOYSA-N
MW270.72 g/mol
LogP3.29
Rot. Bonds2

About 2-(5-chloro-4-methyl-3-phenylpyrazol-1-yl)pyrazine

2-(5-chloro-4-methyl-3-phenylpyrazol-1-yl)pyrazine (PubChem CID 104847570) has the molecular formula C14H11ClN4 and a molecular weight of 270.72 g/mol. Its IUPAC name is 2-(5-chloro-4-methyl-3-phenylpyrazol-1-yl)pyrazine.

Molecular Properties

Compound Name2-(5-chloro-4-methyl-3-phenylpyrazol-1-yl)pyrazine
PubChem CID104847570
Molecular FormulaC14H11ClN4
Molecular Weight270.72 g/mol
Exact Mass270.07
IUPAC Name2-(5-chloro-4-methyl-3-phenylpyrazol-1-yl)pyrazine
SMILESCc1c(-c2ccccc2)nn(-c2cnccn2)c1Cl
InChIInChI=1S/C14H11ClN4/c1-10-13(11-5-3-2-4-6-11)18-19(14(10)15)12-9-16-7-8-17-12/h2-9H,1H3
InChIKeyPQMJIRKCRDMTSB-UHFFFAOYSA-N
XLogP3.29
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.72
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-3-phenyl-1-pyrazin-2-ylpyrazole-4-carbaldehyde
CID 81042710
5-methyl-3-phenyl-1-pyrazin-2-ylpyrazol-4-amine
CID 71015755
5-chloro-4-methyl-1,3-diphenylpyrazole
CID 104847504
3-(4-chlorophenyl)-1-pyrazin-2-ylpyrazolo[5,4-b]pyridine
CID 139754200
3-(3-chlorophenyl)-1-pyrazin-2-ylpyrazol-5-amine
CID 81043369
4,5-dimethyl-1,3-diphenylpyrazole
CID 13258584
2-(3-tert-butyl-5-chloropyrazol-1-yl)pyrazine
CID 81041779
5-chloro-4-methyl-1-pentan-3-yl-3-phenylpyrazole
CID 113460245
2-[5-chloro-4-(chloromethyl)-3-propan-2-ylpyrazol-1-yl]pyrazine
CID 81041895
4-methyl-1,3-diphenylpyrazol-5-amine
CID 43336769
5-chloro-1-pyrazin-2-yl-3-(trifluoromethyl)pyrazole-4-carboxylic acid
CID 81043507
1-pyrazin-2-ylindazole
CID 90241496

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-4-methyl-3-phenylpyrazol-1-yl)pyrazine?
The IUPAC name of 2-(5-chloro-4-methyl-3-phenylpyrazol-1-yl)pyrazine (CID 104847570) is 2-(5-chloro-4-methyl-3-phenylpyrazol-1-yl)pyrazine.
What is the SMILES notation for 2-(5-chloro-4-methyl-3-phenylpyrazol-1-yl)pyrazine?
The canonical SMILES for 2-(5-chloro-4-methyl-3-phenylpyrazol-1-yl)pyrazine is Cc1c(-c2ccccc2)nn(-c2cnccn2)c1Cl.
What is the InChIKey of 2-(5-chloro-4-methyl-3-phenylpyrazol-1-yl)pyrazine?
The InChIKey is PQMJIRKCRDMTSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN4/c1-10-13(11-5-3-2-4-6-11)18-19(14(10)15)12-9-16-7-8-17-12/h2-9H,1H3.
What are the key properties of 2-(5-chloro-4-methyl-3-phenylpyrazol-1-yl)pyrazine?
2-(5-chloro-4-methyl-3-phenylpyrazol-1-yl)pyrazine has a molecular weight of 270.72 g/mol, XLogP of 3.29, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-4-methyl-3-phenylpyrazol-1-yl)pyrazine is sourced from PubChem (CID 104847570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).