6-[(3-fluorophenyl)methyl]-5,7-dimethyl-3-thiophen-2-ylpyrazolo[1,5-a]pyrimidine

C19H16FN3S — CID 3778176

IUPAC6-[(3-fluorophenyl)methyl]-5,7-dimethyl-3-thiophen-2-ylpyrazolo[1,5-a]pyrimidine
SMILESCc1nc2c(-c3cccs3)cnn2c(C)c1Cc1cccc(F)c1
InChIInChI=1S/C19H16FN3S/c1-12-16(10-14-5-3-6-15(20)9-14)13(2)23-19(22-12)17(11-21-23)18-7-4-8-24-18/h3-9,11H,10H2,1-2H3
InChIKeySJZIMWOGDXVAOW-UHFFFAOYSA-N
MW337.42 g/mol
LogP4.80
Rot. Bonds3

About 6-[(3-fluorophenyl)methyl]-5,7-dimethyl-3-thiophen-2-ylpyrazolo[1,5-a]pyrimidine

6-[(3-fluorophenyl)methyl]-5,7-dimethyl-3-thiophen-2-ylpyrazolo[1,5-a]pyrimidine (PubChem CID 3778176) has the molecular formula C19H16FN3S and a molecular weight of 337.42 g/mol. Its IUPAC name is 6-[(3-fluorophenyl)methyl]-5,7-dimethyl-3-thiophen-2-ylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name6-[(3-fluorophenyl)methyl]-5,7-dimethyl-3-thiophen-2-ylpyrazolo[1,5-a]pyrimidine
PubChem CID3778176
Molecular FormulaC19H16FN3S
Molecular Weight337.42 g/mol
Exact Mass337.10
IUPAC Name6-[(3-fluorophenyl)methyl]-5,7-dimethyl-3-thiophen-2-ylpyrazolo[1,5-a]pyrimidine
SMILESCc1nc2c(-c3cccs3)cnn2c(C)c1Cc1cccc(F)c1
InChIInChI=1S/C19H16FN3S/c1-12-16(10-14-5-3-6-15(20)9-14)13(2)23-19(22-12)17(11-21-23)18-7-4-8-24-18/h3-9,11H,10H2,1-2H3
InChIKeySJZIMWOGDXVAOW-UHFFFAOYSA-N
XLogP4.80
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[(3-fluorophenyl)methyl]-5,7-dimethyl-3-thiophen-2-ylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 6-[(3-fluorophenyl)methyl]-5,7-dimethyl-3-thiophen-2-ylpyrazolo[1,5-a]pyrimidine (CID 3778176) is 6-[(3-fluorophenyl)methyl]-5,7-dimethyl-3-thiophen-2-ylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 6-[(3-fluorophenyl)methyl]-5,7-dimethyl-3-thiophen-2-ylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 6-[(3-fluorophenyl)methyl]-5,7-dimethyl-3-thiophen-2-ylpyrazolo[1,5-a]pyrimidine is Cc1nc2c(-c3cccs3)cnn2c(C)c1Cc1cccc(F)c1.
What is the InChIKey of 6-[(3-fluorophenyl)methyl]-5,7-dimethyl-3-thiophen-2-ylpyrazolo[1,5-a]pyrimidine?
The InChIKey is SJZIMWOGDXVAOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN3S/c1-12-16(10-14-5-3-6-15(20)9-14)13(2)23-19(22-12)17(11-21-23)18-7-4-8-24-18/h3-9,11H,10H2,1-2H3.
What are the key properties of 6-[(3-fluorophenyl)methyl]-5,7-dimethyl-3-thiophen-2-ylpyrazolo[1,5-a]pyrimidine?
6-[(3-fluorophenyl)methyl]-5,7-dimethyl-3-thiophen-2-ylpyrazolo[1,5-a]pyrimidine has a molecular weight of 337.42 g/mol, XLogP of 4.80, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-fluorophenyl)methyl]-5,7-dimethyl-3-thiophen-2-ylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 3778176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).