5-[3-[1-[(5-fluoro-2-methylphenyl)methyl]pyrazol-3-yl]phenyl]pyrimidine

C21H17FN4 — CID 28871478

IUPAC5-[3-[1-[(5-fluoro-2-methylphenyl)methyl]pyrazol-3-yl]phenyl]pyrimidine
SMILESCc1ccc(F)cc1Cn1ccc(-c2cccc(-c3cncnc3)c2)n1
InChIInChI=1S/C21H17FN4/c1-15-5-6-20(22)10-18(15)13-26-8-7-21(25-26)17-4-2-3-16(9-17)19-11-23-14-24-12-19/h2-12,14H,13H2,1H3
InChIKeyPBWOVNMSSGKYMM-UHFFFAOYSA-N
MW344.39 g/mol
LogP4.50
Rot. Bonds4

About 5-[3-[1-[(5-fluoro-2-methylphenyl)methyl]pyrazol-3-yl]phenyl]pyrimidine

5-[3-[1-[(5-fluoro-2-methylphenyl)methyl]pyrazol-3-yl]phenyl]pyrimidine (PubChem CID 28871478) has the molecular formula C21H17FN4 and a molecular weight of 344.39 g/mol. Its IUPAC name is 5-[3-[1-[(5-fluoro-2-methylphenyl)methyl]pyrazol-3-yl]phenyl]pyrimidine.

Molecular Properties

Compound Name5-[3-[1-[(5-fluoro-2-methylphenyl)methyl]pyrazol-3-yl]phenyl]pyrimidine
PubChem CID28871478
Molecular FormulaC21H17FN4
Molecular Weight344.39 g/mol
Exact Mass344.14
IUPAC Name5-[3-[1-[(5-fluoro-2-methylphenyl)methyl]pyrazol-3-yl]phenyl]pyrimidine
SMILESCc1ccc(F)cc1Cn1ccc(-c2cccc(-c3cncnc3)c2)n1
InChIInChI=1S/C21H17FN4/c1-15-5-6-20(22)10-18(15)13-26-8-7-21(25-26)17-4-2-3-16(9-17)19-11-23-14-24-12-19/h2-12,14H,13H2,1H3
InChIKeyPBWOVNMSSGKYMM-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

(2R)-1-[3-(3-pyrimidin-5-ylphenyl)pyrazol-1-yl]butan-2-ol
CID 28734619
5-[3-[1-(2-ethylsulfanylethyl)pyrazol-3-yl]phenyl]pyrimidine
CID 56853431
N,N-dimethyl-3-[3-(3-pyrimidin-5-ylphenyl)pyrazol-1-yl]propan-1-amine
CID 28784014
5-[3-[1-(4,4,4-trifluorobutyl)pyrazol-3-yl]phenyl]pyrimidine
CID 29258824
3-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]pyridine
CID 99964672
4,6-dimethyl-2-[3-[1-[(3-methyl-4-pyridinyl)methyl]pyrazol-3-yl]phenyl]pyrimidine
CID 29057238
N-(1-phenylethyl)-2-[3-(3-pyrimidin-5-ylphenyl)pyrazol-1-yl]acetamide
CID 45177485
5-(3-pyrimidin-5-ylphenyl)pyrimidine
CID 101127667
N-[[1-[(5-fluoro-2-methylphenyl)methyl]pyrazol-3-yl]methyl]-2-methylpropan-1-amine
CID 105375458
3-[[3-(3-phenylphenyl)pyrazol-1-yl]methyl]pyridine-4-carboxamide
CID 169043311
2-[(5-fluoro-2-methylphenyl)methyl]triazol-4-amine
CID 165479941
3-[3-[3-(3-fluoro-4-methoxyphenyl)phenyl]pyrazol-1-yl]propan-1-ol
CID 29068891

Frequently Asked Questions

What is the IUPAC name of 5-[3-[1-[(5-fluoro-2-methylphenyl)methyl]pyrazol-3-yl]phenyl]pyrimidine?
The IUPAC name of 5-[3-[1-[(5-fluoro-2-methylphenyl)methyl]pyrazol-3-yl]phenyl]pyrimidine (CID 28871478) is 5-[3-[1-[(5-fluoro-2-methylphenyl)methyl]pyrazol-3-yl]phenyl]pyrimidine.
What is the SMILES notation for 5-[3-[1-[(5-fluoro-2-methylphenyl)methyl]pyrazol-3-yl]phenyl]pyrimidine?
The canonical SMILES for 5-[3-[1-[(5-fluoro-2-methylphenyl)methyl]pyrazol-3-yl]phenyl]pyrimidine is Cc1ccc(F)cc1Cn1ccc(-c2cccc(-c3cncnc3)c2)n1.
What is the InChIKey of 5-[3-[1-[(5-fluoro-2-methylphenyl)methyl]pyrazol-3-yl]phenyl]pyrimidine?
The InChIKey is PBWOVNMSSGKYMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN4/c1-15-5-6-20(22)10-18(15)13-26-8-7-21(25-26)17-4-2-3-16(9-17)19-11-23-14-24-12-19/h2-12,14H,13H2,1H3.
What are the key properties of 5-[3-[1-[(5-fluoro-2-methylphenyl)methyl]pyrazol-3-yl]phenyl]pyrimidine?
5-[3-[1-[(5-fluoro-2-methylphenyl)methyl]pyrazol-3-yl]phenyl]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 5-[3-[1-[(5-fluoro-2-methylphenyl)methyl]pyrazol-3-yl]phenyl]pyrimidine is sourced from PubChem (CID 28871478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).