2-chloro-5-pyrazol-1-ylpyrazine

C7H5ClN4 — CID 54002050

IUPAC2-chloro-5-pyrazol-1-ylpyrazine
SMILESClc1cnc(-n2cccn2)cn1
InChIInChI=1S/C7H5ClN4/c8-6-4-10-7(5-9-6)12-3-1-2-11-12/h1-5H
InChIKeyQJCALICIDXJGIV-UHFFFAOYSA-N
MW180.60 g/mol
LogP1.32
Rot. Bonds1

About 2-chloro-5-pyrazol-1-ylpyrazine

2-chloro-5-pyrazol-1-ylpyrazine (PubChem CID 54002050) has the molecular formula C7H5ClN4 and a molecular weight of 180.60 g/mol. Its IUPAC name is 2-chloro-5-pyrazol-1-ylpyrazine.

Molecular Properties

Compound Name2-chloro-5-pyrazol-1-ylpyrazine
PubChem CID54002050
Molecular FormulaC7H5ClN4
Molecular Weight180.60 g/mol
Exact Mass180.02
IUPAC Name2-chloro-5-pyrazol-1-ylpyrazine
SMILESClc1cnc(-n2cccn2)cn1
InChIInChI=1S/C7H5ClN4/c8-6-4-10-7(5-9-6)12-3-1-2-11-12/h1-5H
InChIKeyQJCALICIDXJGIV-UHFFFAOYSA-N
XLogP1.32
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.60
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-chloro-5-pyrazol-1-ylpyrazine 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

Lesopitron
CID 60813
2,6-Bis(1-pyrazolyl)pyrazine
CID 1487780
B-(1-(6-Chloro-4-pyrimidinyl)-1H-pyrazol-4-yl)boronic acid
CID 46738749
5-(1H-pyrazol-1-yl)pyrimidine
CID 54593304
6-(1H-pyrazol-1-yl)pyrimidin-4-amine
CID 10749494
2-chloro-6-(1H-pyrazol-1-yl)pyrazine
CID 10035227
4-Chloro-6-(1H-pyrazol-1-yl)pyrimidine
CID 10631239
2-chloro-4-(1H-pyrazol-1-yl)pyrimidine
CID 21992219
2-(4-bromo-1H-pyrazol-1-yl)pyrazine
CID 58368869
2-chloro-4-(4-methyl-1H-pyrazol-1-yl)pyrimidine
CID 62343477
1-(pyrimidin-5-yl)-1H-pyrazol-3-amine
CID 65690504
6-Chloropyrazolo[1,5-a]pyrimidine
CID 89620457

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-pyrazol-1-ylpyrazine?
The IUPAC name of 2-chloro-5-pyrazol-1-ylpyrazine (CID 54002050) is 2-chloro-5-pyrazol-1-ylpyrazine.
What is the SMILES notation for 2-chloro-5-pyrazol-1-ylpyrazine?
The canonical SMILES for 2-chloro-5-pyrazol-1-ylpyrazine is Clc1cnc(-n2cccn2)cn1.
What is the InChIKey of 2-chloro-5-pyrazol-1-ylpyrazine?
The InChIKey is QJCALICIDXJGIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClN4/c8-6-4-10-7(5-9-6)12-3-1-2-11-12/h1-5H.
What are the key properties of 2-chloro-5-pyrazol-1-ylpyrazine?
2-chloro-5-pyrazol-1-ylpyrazine has a molecular weight of 180.60 g/mol, XLogP of 1.32, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-pyrazol-1-ylpyrazine is sourced from PubChem (CID 54002050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).