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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Related Compounds

2-[1-[(2-fluorophenyl)methyl]-3-(6-methoxy-2-pyridinyl)pyrazol-5-yl]pyrimidine;2-[1-[(2-fluorophenyl)methyl]-5-(6-methoxy-2-pyridinyl)pyrazol-3-yl]pyrimidine
CID 158132478
2-[4-bromo-1-[(2-fluorophenyl)methyl]-5-(4-methylphenyl)pyrazol-3-yl]pyrimidine
CID 66632350
2-[1-[(2-fluorophenyl)methyl]-4-isocyano-5-(4-methylphenyl)pyrazol-3-yl]pyrimidine
CID 88594335
2-[3-(5-fluoro-4-methylpyrimidin-2-yl)-1-[(2-fluorophenyl)methyl]pyrazol-5-yl]-1,3-oxazole
CID 145046968
2-[1-[(2-methylphenyl)methyl]-3-pyridin-2-ylpyrazol-5-yl]pyrimidine
CID 137444663
2-[1-[(2-fluorophenyl)methyl]-5-methoxypyrazol-3-yl]pyrimidin-4-amine
CID 118150396
5-bromo-2-[1-[(2-fluorophenyl)methyl]-3-pyridin-2-ylpyrazol-5-yl]pyridine
CID 56598924
methyl 3-[[2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]amino]-3-oxopropanoate
CID 118962822
methyl N-[4,6-diamino-2-[1-[(2-fluorophenyl)methyl]-5-pyridin-2-ylpyrazol-3-yl]pyrimidin-5-yl]-N-methylcarbamate
CID 68642360
N-[2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]-2-hydroxypropanamide
CID 123568614
2-[[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]amino]acetic acid;toluene
CID 144707685
2-[[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-methylpyrazol-3-yl]pyrimidin-4-yl]amino]propane-1,3-diol
CID 90446035

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).