7-(3-fluoro-4-methoxyphenyl)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine

C14H16FN3O — CID 136709277

IUPAC7-(3-fluoro-4-methoxyphenyl)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
SMILESCOc1ccc(C2CCNc3cc(C)nn32)cc1F
InChIInChI=1S/C14H16FN3O/c1-9-7-14-16-6-5-12(18(14)17-9)10-3-4-13(19-2)11(15)8-10/h3-4,7-8,12,16H,5-6H2,1-2H3
InChIKeyUTWIQLFJRRTVSK-UHFFFAOYSA-N
MW261.30 g/mol
LogP2.74
Rot. Bonds2

About 7-(3-fluoro-4-methoxyphenyl)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine

7-(3-fluoro-4-methoxyphenyl)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine (PubChem CID 136709277) has the molecular formula C14H16FN3O and a molecular weight of 261.30 g/mol. Its IUPAC name is 7-(3-fluoro-4-methoxyphenyl)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-(3-fluoro-4-methoxyphenyl)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
PubChem CID136709277
Molecular FormulaC14H16FN3O
Molecular Weight261.30 g/mol
Exact Mass261.13
IUPAC Name7-(3-fluoro-4-methoxyphenyl)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
SMILESCOc1ccc(C2CCNc3cc(C)nn32)cc1F
InChIInChI=1S/C14H16FN3O/c1-9-7-14-16-6-5-12(18(14)17-9)10-3-4-13(19-2)11(15)8-10/h3-4,7-8,12,16H,5-6H2,1-2H3
InChIKeyUTWIQLFJRRTVSK-UHFFFAOYSA-N
XLogP2.74
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-(3-fluorophenyl)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 136933815
2-methyl-7-[4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 136709260
2-methyl-7-[3-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 136709236
7-(3,4-dimethoxyphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 136840975
7-(3,4-dimethoxyphenyl)-3-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 136837532
2-(3-methylbutyl)-7-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 136838613
2-(3-fluoro-4-methoxyphenyl)pyrrolidin-3-ol
CID 83834988
3-(3-fluoro-4-methoxyphenyl)azetidine
CID 82280860
2-[3-(3-fluoro-4-methoxyphenyl)pyrrolidin-2-yl]ethanamine
CID 82621572
2-tert-butyl-7-(3,5-difluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 136839390
7-(3,5-dimethylphenyl)-2-propyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 136838509
4-(2,2-dimethylcyclopropyl)-2-fluoro-1-methoxybenzene
CID 165178047

Frequently Asked Questions

What is the IUPAC name of 7-(3-fluoro-4-methoxyphenyl)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The IUPAC name of 7-(3-fluoro-4-methoxyphenyl)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine (CID 136709277) is 7-(3-fluoro-4-methoxyphenyl)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-(3-fluoro-4-methoxyphenyl)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-(3-fluoro-4-methoxyphenyl)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine is COc1ccc(C2CCNc3cc(C)nn32)cc1F.
What is the InChIKey of 7-(3-fluoro-4-methoxyphenyl)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The InChIKey is UTWIQLFJRRTVSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O/c1-9-7-14-16-6-5-12(18(14)17-9)10-3-4-13(19-2)11(15)8-10/h3-4,7-8,12,16H,5-6H2,1-2H3.
What are the key properties of 7-(3-fluoro-4-methoxyphenyl)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
7-(3-fluoro-4-methoxyphenyl)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine has a molecular weight of 261.30 g/mol, XLogP of 2.74, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-fluoro-4-methoxyphenyl)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 136709277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).