6-ethyl-3-(2-fluorophenyl)-2-methyl-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid

C19H20FN3O2 — CID 137481227

IUPAC6-ethyl-3-(2-fluorophenyl)-2-methyl-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid
SMILESCCc1c(C(=O)O)nc2c(-c3ccccc3F)c(C)nn2c1C(C)C
InChIInChI=1S/C19H20FN3O2/c1-5-12-16(19(24)25)21-18-15(13-8-6-7-9-14(13)20)11(4)22-23(18)17(12)10(2)3/h6-10H,5H2,1-4H3,(H,24,25)
InChIKeyQXZPPPQYFHLPRY-UHFFFAOYSA-N
MW341.39 g/mol
LogP4.23
Rot. Bonds4

About 6-ethyl-3-(2-fluorophenyl)-2-methyl-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid

6-ethyl-3-(2-fluorophenyl)-2-methyl-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid (PubChem CID 137481227) has the molecular formula C19H20FN3O2 and a molecular weight of 341.39 g/mol. Its IUPAC name is 6-ethyl-3-(2-fluorophenyl)-2-methyl-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name6-ethyl-3-(2-fluorophenyl)-2-methyl-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid
PubChem CID137481227
Molecular FormulaC19H20FN3O2
Molecular Weight341.39 g/mol
Exact Mass341.15
IUPAC Name6-ethyl-3-(2-fluorophenyl)-2-methyl-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid
SMILESCCc1c(C(=O)O)nc2c(-c3ccccc3F)c(C)nn2c1C(C)C
InChIInChI=1S/C19H20FN3O2/c1-5-12-16(19(24)25)21-18-15(13-8-6-7-9-14(13)20)11(4)22-23(18)17(12)10(2)3/h6-10H,5H2,1-4H3,(H,24,25)
InChIKeyQXZPPPQYFHLPRY-UHFFFAOYSA-N
XLogP4.23
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-ethyl-3-(2-fluorophenyl)-2-methyl-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid with MolForge

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Related Compounds

6-ethyl-3-(2-methoxyphenyl)-2-methyl-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid
CID 137481226
2-cyclopropyl-6-ethyl-3-phenyl-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid
CID 137481206
4-(2-fluorophenyl)-5-methyl-1H-pyrazole-3-carboxylic acid
CID 82472519
1-(2-ethylphenyl)-5-(2-fluorophenyl)triazole-4-carboxylic acid
CID 94940430
1-(2,6-difluorophenyl)-5-propan-2-yltriazole-4-carboxylic acid
CID 43325155
2-(3,5-dimethyl-1-propylpyrazol-4-yl)-6-fluorobenzoic acid
CID 114560393
[4-(2-fluorophenyl)piperazin-1-yl]-(2-methyl-3-phenyl-7-propan-2-ylpyrazolo[1,5-a]pyrimidin-6-yl)methanone
CID 4984521
2-chloro-10-(2-fluorophenyl)-11-methyl-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene
CID 82274863
5-(2-fluorophenyl)-1,4-dimethylpyrazole-3-carboxylic acid
CID 105494099
2-(2-fluorophenyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxylic acid
CID 131987836
3-(2-chlorophenyl)-2-methyl-7-propylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid
CID 137481079
2-(1-ethyl-3,5-dimethylpyrazol-4-yl)benzoic acid
CID 63804633

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-3-(2-fluorophenyl)-2-methyl-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid?
The IUPAC name of 6-ethyl-3-(2-fluorophenyl)-2-methyl-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid (CID 137481227) is 6-ethyl-3-(2-fluorophenyl)-2-methyl-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid.
What is the SMILES notation for 6-ethyl-3-(2-fluorophenyl)-2-methyl-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid?
The canonical SMILES for 6-ethyl-3-(2-fluorophenyl)-2-methyl-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid is CCc1c(C(=O)O)nc2c(-c3ccccc3F)c(C)nn2c1C(C)C.
What is the InChIKey of 6-ethyl-3-(2-fluorophenyl)-2-methyl-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid?
The InChIKey is QXZPPPQYFHLPRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O2/c1-5-12-16(19(24)25)21-18-15(13-8-6-7-9-14(13)20)11(4)22-23(18)17(12)10(2)3/h6-10H,5H2,1-4H3,(H,24,25).
What are the key properties of 6-ethyl-3-(2-fluorophenyl)-2-methyl-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid?
6-ethyl-3-(2-fluorophenyl)-2-methyl-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid has a molecular weight of 341.39 g/mol, XLogP of 4.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-3-(2-fluorophenyl)-2-methyl-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid is sourced from PubChem (CID 137481227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).