3-(4-fluorophenyl)-2,5-dimethyl-7-thiophen-2-yl-6,7-dihydropyrazolo[1,5-a]pyrimidine

C18H16FN3S — CID 17067731

IUPAC3-(4-fluorophenyl)-2,5-dimethyl-7-thiophen-2-yl-6,7-dihydropyrazolo[1,5-a]pyrimidine
SMILESCC1=Nc2c(-c3ccc(F)cc3)c(C)nn2C(c2cccs2)C1
InChIInChI=1S/C18H16FN3S/c1-11-10-15(16-4-3-9-23-16)22-18(20-11)17(12(2)21-22)13-5-7-14(19)8-6-13/h3-9,15H,10H2,1-2H3
InChIKeyLJOFYOLUWKIQHF-UHFFFAOYSA-N
MW325.41 g/mol
LogP5.14
Rot. Bonds2

About 3-(4-fluorophenyl)-2,5-dimethyl-7-thiophen-2-yl-6,7-dihydropyrazolo[1,5-a]pyrimidine

3-(4-fluorophenyl)-2,5-dimethyl-7-thiophen-2-yl-6,7-dihydropyrazolo[1,5-a]pyrimidine (PubChem CID 17067731) has the molecular formula C18H16FN3S and a molecular weight of 325.41 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-2,5-dimethyl-7-thiophen-2-yl-6,7-dihydropyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name3-(4-fluorophenyl)-2,5-dimethyl-7-thiophen-2-yl-6,7-dihydropyrazolo[1,5-a]pyrimidine
PubChem CID17067731
Molecular FormulaC18H16FN3S
Molecular Weight325.41 g/mol
Exact Mass325.10
IUPAC Name3-(4-fluorophenyl)-2,5-dimethyl-7-thiophen-2-yl-6,7-dihydropyrazolo[1,5-a]pyrimidine
SMILESCC1=Nc2c(-c3ccc(F)cc3)c(C)nn2C(c2cccs2)C1
InChIInChI=1S/C18H16FN3S/c1-11-10-15(16-4-3-9-23-16)22-18(20-11)17(12(2)21-22)13-5-7-14(19)8-6-13/h3-9,15H,10H2,1-2H3
InChIKeyLJOFYOLUWKIQHF-UHFFFAOYSA-N
XLogP5.14
TPSA30.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.41
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-2,5-dimethyl-7-thiophen-2-yl-6,7-dihydropyrazolo[1,5-a]pyrimidine?
The IUPAC name of 3-(4-fluorophenyl)-2,5-dimethyl-7-thiophen-2-yl-6,7-dihydropyrazolo[1,5-a]pyrimidine (CID 17067731) is 3-(4-fluorophenyl)-2,5-dimethyl-7-thiophen-2-yl-6,7-dihydropyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 3-(4-fluorophenyl)-2,5-dimethyl-7-thiophen-2-yl-6,7-dihydropyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 3-(4-fluorophenyl)-2,5-dimethyl-7-thiophen-2-yl-6,7-dihydropyrazolo[1,5-a]pyrimidine is CC1=Nc2c(-c3ccc(F)cc3)c(C)nn2C(c2cccs2)C1.
What is the InChIKey of 3-(4-fluorophenyl)-2,5-dimethyl-7-thiophen-2-yl-6,7-dihydropyrazolo[1,5-a]pyrimidine?
The InChIKey is LJOFYOLUWKIQHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3S/c1-11-10-15(16-4-3-9-23-16)22-18(20-11)17(12(2)21-22)13-5-7-14(19)8-6-13/h3-9,15H,10H2,1-2H3.
What are the key properties of 3-(4-fluorophenyl)-2,5-dimethyl-7-thiophen-2-yl-6,7-dihydropyrazolo[1,5-a]pyrimidine?
3-(4-fluorophenyl)-2,5-dimethyl-7-thiophen-2-yl-6,7-dihydropyrazolo[1,5-a]pyrimidine has a molecular weight of 325.41 g/mol, XLogP of 5.14, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-2,5-dimethyl-7-thiophen-2-yl-6,7-dihydropyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 17067731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).