2-[2-(2-ethylphenyl)pyrazol-3-yl]pyrimidine

C15H14N4 — CID 166323999

IUPAC2-[2-(2-ethylphenyl)pyrazol-3-yl]pyrimidine
SMILESCCc1ccccc1-n1nccc1-c1ncccn1
InChIInChI=1S/C15H14N4/c1-2-12-6-3-4-7-13(12)19-14(8-11-18-19)15-16-9-5-10-17-15/h3-11H,2H2,1H3
InChIKeyPASJSOFJUPSFRH-UHFFFAOYSA-N
MW250.31 g/mol
LogP2.89
Rot. Bonds3

About 2-[2-(2-ethylphenyl)pyrazol-3-yl]pyrimidine

2-[2-(2-ethylphenyl)pyrazol-3-yl]pyrimidine (PubChem CID 166323999) has the molecular formula C15H14N4 and a molecular weight of 250.31 g/mol. Its IUPAC name is 2-[2-(2-ethylphenyl)pyrazol-3-yl]pyrimidine.

Molecular Properties

Compound Name2-[2-(2-ethylphenyl)pyrazol-3-yl]pyrimidine
PubChem CID166323999
Molecular FormulaC15H14N4
Molecular Weight250.31 g/mol
Exact Mass250.12
IUPAC Name2-[2-(2-ethylphenyl)pyrazol-3-yl]pyrimidine
SMILESCCc1ccccc1-n1nccc1-c1ncccn1
InChIInChI=1S/C15H14N4/c1-2-12-6-3-4-7-13(12)19-14(8-11-18-19)15-16-9-5-10-17-15/h3-11H,2H2,1H3
InChIKeyPASJSOFJUPSFRH-UHFFFAOYSA-N
XLogP2.89
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.31
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-ethylphenyl)pyrazol-3-yl]pyrimidine?
The IUPAC name of 2-[2-(2-ethylphenyl)pyrazol-3-yl]pyrimidine (CID 166323999) is 2-[2-(2-ethylphenyl)pyrazol-3-yl]pyrimidine.
What is the SMILES notation for 2-[2-(2-ethylphenyl)pyrazol-3-yl]pyrimidine?
The canonical SMILES for 2-[2-(2-ethylphenyl)pyrazol-3-yl]pyrimidine is CCc1ccccc1-n1nccc1-c1ncccn1.
What is the InChIKey of 2-[2-(2-ethylphenyl)pyrazol-3-yl]pyrimidine?
The InChIKey is PASJSOFJUPSFRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4/c1-2-12-6-3-4-7-13(12)19-14(8-11-18-19)15-16-9-5-10-17-15/h3-11H,2H2,1H3.
What are the key properties of 2-[2-(2-ethylphenyl)pyrazol-3-yl]pyrimidine?
2-[2-(2-ethylphenyl)pyrazol-3-yl]pyrimidine has a molecular weight of 250.31 g/mol, XLogP of 2.89, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-ethylphenyl)pyrazol-3-yl]pyrimidine is sourced from PubChem (CID 166323999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).