2,4-dichloro-6-[4-(4-ethylphenyl)pyrazol-1-yl]-1,3,5-triazine

C14H11Cl2N5 — CID 89049574

IUPAC2,4-dichloro-6-[4-(4-ethylphenyl)pyrazol-1-yl]-1,3,5-triazine
SMILESCCc1ccc(-c2cnn(-c3nc(Cl)nc(Cl)n3)c2)cc1
InChIInChI=1S/C14H11Cl2N5/c1-2-9-3-5-10(6-4-9)11-7-17-21(8-11)14-19-12(15)18-13(16)20-14/h3-8H,2H2,1H3
InChIKeyUATCROPBXAQFOW-UHFFFAOYSA-N
MW320.18 g/mol
LogP3.59
Rot. Bonds3

About 2,4-dichloro-6-[4-(4-ethylphenyl)pyrazol-1-yl]-1,3,5-triazine

2,4-dichloro-6-[4-(4-ethylphenyl)pyrazol-1-yl]-1,3,5-triazine (PubChem CID 89049574) has the molecular formula C14H11Cl2N5 and a molecular weight of 320.18 g/mol. Its IUPAC name is 2,4-dichloro-6-[4-(4-ethylphenyl)pyrazol-1-yl]-1,3,5-triazine.

Molecular Properties

Compound Name2,4-dichloro-6-[4-(4-ethylphenyl)pyrazol-1-yl]-1,3,5-triazine
PubChem CID89049574
Molecular FormulaC14H11Cl2N5
Molecular Weight320.18 g/mol
Exact Mass319.04
IUPAC Name2,4-dichloro-6-[4-(4-ethylphenyl)pyrazol-1-yl]-1,3,5-triazine
SMILESCCc1ccc(-c2cnn(-c3nc(Cl)nc(Cl)n3)c2)cc1
InChIInChI=1S/C14H11Cl2N5/c1-2-9-3-5-10(6-4-9)11-7-17-21(8-11)14-19-12(15)18-13(16)20-14/h3-8H,2H2,1H3
InChIKeyUATCROPBXAQFOW-UHFFFAOYSA-N
XLogP3.59
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.18
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-6-[4-(4-ethylphenyl)pyrazol-1-yl]-1,3,5-triazine?
The IUPAC name of 2,4-dichloro-6-[4-(4-ethylphenyl)pyrazol-1-yl]-1,3,5-triazine (CID 89049574) is 2,4-dichloro-6-[4-(4-ethylphenyl)pyrazol-1-yl]-1,3,5-triazine.
What is the SMILES notation for 2,4-dichloro-6-[4-(4-ethylphenyl)pyrazol-1-yl]-1,3,5-triazine?
The canonical SMILES for 2,4-dichloro-6-[4-(4-ethylphenyl)pyrazol-1-yl]-1,3,5-triazine is CCc1ccc(-c2cnn(-c3nc(Cl)nc(Cl)n3)c2)cc1.
What is the InChIKey of 2,4-dichloro-6-[4-(4-ethylphenyl)pyrazol-1-yl]-1,3,5-triazine?
The InChIKey is UATCROPBXAQFOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2N5/c1-2-9-3-5-10(6-4-9)11-7-17-21(8-11)14-19-12(15)18-13(16)20-14/h3-8H,2H2,1H3.
What are the key properties of 2,4-dichloro-6-[4-(4-ethylphenyl)pyrazol-1-yl]-1,3,5-triazine?
2,4-dichloro-6-[4-(4-ethylphenyl)pyrazol-1-yl]-1,3,5-triazine has a molecular weight of 320.18 g/mol, XLogP of 3.59, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-6-[4-(4-ethylphenyl)pyrazol-1-yl]-1,3,5-triazine is sourced from PubChem (CID 89049574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).