2-[1-[(2-fluorophenyl)methyl]-5-(4-methylphenyl)pyrazol-3-yl]pyrimidine

C21H17FN4 — CID 68642170

IUPAC2-[1-[(2-fluorophenyl)methyl]-5-(4-methylphenyl)pyrazol-3-yl]pyrimidine
SMILESCc1ccc(-c2cc(-c3ncccn3)nn2Cc2ccccc2F)cc1
InChIInChI=1S/C21H17FN4/c1-15-7-9-16(10-8-15)20-13-19(21-23-11-4-12-24-21)25-26(20)14-17-5-2-3-6-18(17)22/h2-13H,14H2,1H3
InChIKeyWMMTXAOMTDEAJK-UHFFFAOYSA-N
MW344.39 g/mol
LogP4.50
Rot. Bonds4

About 2-[1-[(2-fluorophenyl)methyl]-5-(4-methylphenyl)pyrazol-3-yl]pyrimidine

2-[1-[(2-fluorophenyl)methyl]-5-(4-methylphenyl)pyrazol-3-yl]pyrimidine (PubChem CID 68642170) has the molecular formula C21H17FN4 and a molecular weight of 344.39 g/mol. Its IUPAC name is 2-[1-[(2-fluorophenyl)methyl]-5-(4-methylphenyl)pyrazol-3-yl]pyrimidine.

Molecular Properties

Compound Name2-[1-[(2-fluorophenyl)methyl]-5-(4-methylphenyl)pyrazol-3-yl]pyrimidine
PubChem CID68642170
Molecular FormulaC21H17FN4
Molecular Weight344.39 g/mol
Exact Mass344.14
IUPAC Name2-[1-[(2-fluorophenyl)methyl]-5-(4-methylphenyl)pyrazol-3-yl]pyrimidine
SMILESCc1ccc(-c2cc(-c3ncccn3)nn2Cc2ccccc2F)cc1
InChIInChI=1S/C21H17FN4/c1-15-7-9-16(10-8-15)20-13-19(21-23-11-4-12-24-21)25-26(20)14-17-5-2-3-6-18(17)22/h2-13H,14H2,1H3
InChIKeyWMMTXAOMTDEAJK-UHFFFAOYSA-N
XLogP4.50
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-fluorophenyl)methyl]-5-(4-methylphenyl)pyrazol-3-yl]pyrimidine?
The IUPAC name of 2-[1-[(2-fluorophenyl)methyl]-5-(4-methylphenyl)pyrazol-3-yl]pyrimidine (CID 68642170) is 2-[1-[(2-fluorophenyl)methyl]-5-(4-methylphenyl)pyrazol-3-yl]pyrimidine.
What is the SMILES notation for 2-[1-[(2-fluorophenyl)methyl]-5-(4-methylphenyl)pyrazol-3-yl]pyrimidine?
The canonical SMILES for 2-[1-[(2-fluorophenyl)methyl]-5-(4-methylphenyl)pyrazol-3-yl]pyrimidine is Cc1ccc(-c2cc(-c3ncccn3)nn2Cc2ccccc2F)cc1.
What is the InChIKey of 2-[1-[(2-fluorophenyl)methyl]-5-(4-methylphenyl)pyrazol-3-yl]pyrimidine?
The InChIKey is WMMTXAOMTDEAJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN4/c1-15-7-9-16(10-8-15)20-13-19(21-23-11-4-12-24-21)25-26(20)14-17-5-2-3-6-18(17)22/h2-13H,14H2,1H3.
What are the key properties of 2-[1-[(2-fluorophenyl)methyl]-5-(4-methylphenyl)pyrazol-3-yl]pyrimidine?
2-[1-[(2-fluorophenyl)methyl]-5-(4-methylphenyl)pyrazol-3-yl]pyrimidine has a molecular weight of 344.39 g/mol, XLogP of 4.50, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-fluorophenyl)methyl]-5-(4-methylphenyl)pyrazol-3-yl]pyrimidine is sourced from PubChem (CID 68642170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).