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

C14H16FN3 — CID 137011955

IUPAC7-(3-fluorophenyl)-2,3-dimethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
SMILESCc1nn2c(c1C)NCCC2c1cccc(F)c1
InChIInChI=1S/C14H16FN3/c1-9-10(2)17-18-13(6-7-16-14(9)18)11-4-3-5-12(15)8-11/h3-5,8,13,16H,6-7H2,1-2H3
InChIKeyKDKNBOOTHUFFLA-UHFFFAOYSA-N
MW245.30 g/mol
LogP3.04
Rot. Bonds1

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

7-(3-fluorophenyl)-2,3-dimethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine (PubChem CID 137011955) has the molecular formula C14H16FN3 and a molecular weight of 245.30 g/mol. Its IUPAC name is 7-(3-fluorophenyl)-2,3-dimethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-(3-fluorophenyl)-2,3-dimethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
PubChem CID137011955
Molecular FormulaC14H16FN3
Molecular Weight245.30 g/mol
Exact Mass245.13
IUPAC Name7-(3-fluorophenyl)-2,3-dimethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
SMILESCc1nn2c(c1C)NCCC2c1cccc(F)c1
InChIInChI=1S/C14H16FN3/c1-9-10(2)17-18-13(6-7-16-14(9)18)11-4-3-5-12(15)8-11/h3-5,8,13,16H,6-7H2,1-2H3
InChIKeyKDKNBOOTHUFFLA-UHFFFAOYSA-N
XLogP3.04
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.30
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-(3-fluorophenyl)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 136933815
4-(3-fluorophenyl)-1,2,3,4-tetrahydropyrimido[1,2-b]indazol-8-amine
CID 136841492
7-(2,4-dimethoxyphenyl)-2,3-dimethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 136838062
3-(8-fluoro-1,2,3,4-tetrahydropyrimido[1,2-b]indazol-4-yl)aniline
CID 136841353
6-(3-methylphenyl)-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,8-diene
CID 136841536
3-(11-methyl-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,8,10,12-tetraen-6-yl)aniline
CID 136840867
2-methyl-7-(3-methylphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 136709256
6-(3,5-difluorophenyl)-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,8,10,12-tetraene
CID 136840841
7-(3-methylphenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
CID 136840246
7-(3,4-dimethylphenyl)-2-ethyl-3-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 136837978
N-methyl-7-(3-methylphenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
CID 137012196
2-methyl-7-[3-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 136709236

Frequently Asked Questions

What is the IUPAC name of 7-(3-fluorophenyl)-2,3-dimethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The IUPAC name of 7-(3-fluorophenyl)-2,3-dimethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine (CID 137011955) is 7-(3-fluorophenyl)-2,3-dimethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-(3-fluorophenyl)-2,3-dimethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-(3-fluorophenyl)-2,3-dimethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine is Cc1nn2c(c1C)NCCC2c1cccc(F)c1.
What is the InChIKey of 7-(3-fluorophenyl)-2,3-dimethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The InChIKey is KDKNBOOTHUFFLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3/c1-9-10(2)17-18-13(6-7-16-14(9)18)11-4-3-5-12(15)8-11/h3-5,8,13,16H,6-7H2,1-2H3.
What are the key properties of 7-(3-fluorophenyl)-2,3-dimethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
7-(3-fluorophenyl)-2,3-dimethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine has a molecular weight of 245.30 g/mol, XLogP of 3.04, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-fluorophenyl)-2,3-dimethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 137011955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).