2-[1-[(2-fluorophenyl)methyl]-5-thiophen-2-ylpyrazol-3-yl]pyrimidine

C18H13FN4S — CID 68642171

IUPAC2-[1-[(2-fluorophenyl)methyl]-5-thiophen-2-ylpyrazol-3-yl]pyrimidine
SMILESFc1ccccc1Cn1nc(-c2ncccn2)cc1-c1cccs1
InChIInChI=1S/C18H13FN4S/c19-14-6-2-1-5-13(14)12-23-16(17-7-3-10-24-17)11-15(22-23)18-20-8-4-9-21-18/h1-11H,12H2
InChIKeyLAFXQKZQVLIEGG-UHFFFAOYSA-N
MW336.40 g/mol
LogP4.26
Rot. Bonds4

About 2-[1-[(2-fluorophenyl)methyl]-5-thiophen-2-ylpyrazol-3-yl]pyrimidine

2-[1-[(2-fluorophenyl)methyl]-5-thiophen-2-ylpyrazol-3-yl]pyrimidine (PubChem CID 68642171) has the molecular formula C18H13FN4S and a molecular weight of 336.40 g/mol. Its IUPAC name is 2-[1-[(2-fluorophenyl)methyl]-5-thiophen-2-ylpyrazol-3-yl]pyrimidine.

Molecular Properties

Compound Name2-[1-[(2-fluorophenyl)methyl]-5-thiophen-2-ylpyrazol-3-yl]pyrimidine
PubChem CID68642171
Molecular FormulaC18H13FN4S
Molecular Weight336.40 g/mol
Exact Mass336.08
IUPAC Name2-[1-[(2-fluorophenyl)methyl]-5-thiophen-2-ylpyrazol-3-yl]pyrimidine
SMILESFc1ccccc1Cn1nc(-c2ncccn2)cc1-c1cccs1
InChIInChI=1S/C18H13FN4S/c19-14-6-2-1-5-13(14)12-23-16(17-7-3-10-24-17)11-15(22-23)18-20-8-4-9-21-18/h1-11H,12H2
InChIKeyLAFXQKZQVLIEGG-UHFFFAOYSA-N
XLogP4.26
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-fluorophenyl)methyl]-5-thiophen-2-ylpyrazol-3-yl]pyrimidine?
The IUPAC name of 2-[1-[(2-fluorophenyl)methyl]-5-thiophen-2-ylpyrazol-3-yl]pyrimidine (CID 68642171) is 2-[1-[(2-fluorophenyl)methyl]-5-thiophen-2-ylpyrazol-3-yl]pyrimidine.
What is the SMILES notation for 2-[1-[(2-fluorophenyl)methyl]-5-thiophen-2-ylpyrazol-3-yl]pyrimidine?
The canonical SMILES for 2-[1-[(2-fluorophenyl)methyl]-5-thiophen-2-ylpyrazol-3-yl]pyrimidine is Fc1ccccc1Cn1nc(-c2ncccn2)cc1-c1cccs1.
What is the InChIKey of 2-[1-[(2-fluorophenyl)methyl]-5-thiophen-2-ylpyrazol-3-yl]pyrimidine?
The InChIKey is LAFXQKZQVLIEGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13FN4S/c19-14-6-2-1-5-13(14)12-23-16(17-7-3-10-24-17)11-15(22-23)18-20-8-4-9-21-18/h1-11H,12H2.
What are the key properties of 2-[1-[(2-fluorophenyl)methyl]-5-thiophen-2-ylpyrazol-3-yl]pyrimidine?
2-[1-[(2-fluorophenyl)methyl]-5-thiophen-2-ylpyrazol-3-yl]pyrimidine has a molecular weight of 336.40 g/mol, XLogP of 4.26, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-fluorophenyl)methyl]-5-thiophen-2-ylpyrazol-3-yl]pyrimidine is sourced from PubChem (CID 68642171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).