ethyl 3-(3-fluorophenyl)-2-methyl-7-propylpyrazolo[1,5-a]pyrimidine-5-carboxylate

C19H20FN3O2 — CID 137481252

IUPACethyl 3-(3-fluorophenyl)-2-methyl-7-propylpyrazolo[1,5-a]pyrimidine-5-carboxylate
SMILESCCCc1cc(C(=O)OCC)nc2c(-c3cccc(F)c3)c(C)nn12
InChIInChI=1S/C19H20FN3O2/c1-4-7-15-11-16(19(24)25-5-2)21-18-17(12(3)22-23(15)18)13-8-6-9-14(20)10-13/h6,8-11H,4-5,7H2,1-3H3
InChIKeyXKTPSUBGFUBHCW-UHFFFAOYSA-N
MW341.39 g/mol
LogP3.97
Rot. Bonds5

About ethyl 3-(3-fluorophenyl)-2-methyl-7-propylpyrazolo[1,5-a]pyrimidine-5-carboxylate

ethyl 3-(3-fluorophenyl)-2-methyl-7-propylpyrazolo[1,5-a]pyrimidine-5-carboxylate (PubChem CID 137481252) has the molecular formula C19H20FN3O2 and a molecular weight of 341.39 g/mol. Its IUPAC name is ethyl 3-(3-fluorophenyl)-2-methyl-7-propylpyrazolo[1,5-a]pyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 3-(3-fluorophenyl)-2-methyl-7-propylpyrazolo[1,5-a]pyrimidine-5-carboxylate
PubChem CID137481252
Molecular FormulaC19H20FN3O2
Molecular Weight341.39 g/mol
Exact Mass341.15
IUPAC Nameethyl 3-(3-fluorophenyl)-2-methyl-7-propylpyrazolo[1,5-a]pyrimidine-5-carboxylate
SMILESCCCc1cc(C(=O)OCC)nc2c(-c3cccc(F)c3)c(C)nn12
InChIInChI=1S/C19H20FN3O2/c1-4-7-15-11-16(19(24)25-5-2)21-18-17(12(3)22-23(15)18)13-8-6-9-14(20)10-13/h6,8-11H,4-5,7H2,1-3H3
InChIKeyXKTPSUBGFUBHCW-UHFFFAOYSA-N
XLogP3.97
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-methyl-3-phenyl-7-propylpyrazolo[1,5-a]pyrimidin-5-yl)ethanone
CID 158588228
3-(2,6-dimethylphenyl)-2-methyl-7-propylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid
CID 137481122
ethyl 2-methyl-3-(3-methylphenyl)-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxylate
CID 137481289
1-[3-(3-fluorophenyl)-2-methyl-7-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]ethanone
CID 160810234
ethyl 7-(4-chlorophenyl)-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidine-5-carboxylate
CID 42877153
3-(2,6-dimethylphenyl)-2,7-dipropylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid
CID 137481196
3-(2-chlorophenyl)-2-methyl-7-propylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid
CID 137481079
ethyl 3-(2-fluoro-6-isocyanophenyl)-2-methyl-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxylate
CID 155791345
3-(2,6-dimethylphenyl)-2-methyl-7-propylpyrazolo[1,5-a]pyrimidin-5-amine
CID 137480985
ethyl 6-(3-fluorophenyl)-2-methylpyridine-3-carboxylate
CID 69039398
ethyl 3-(2,6-dimethylphenyl)-2,6-dimethyl-7-propylpyrazolo[1,5-a]pyrimidine-5-carboxylate
CID 167337518
ethyl 8-bromo-5-chloro-6-(3-fluorophenyl)imidazo[1,2-a]pyrazine-2-carboxylate
CID 137372681

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(3-fluorophenyl)-2-methyl-7-propylpyrazolo[1,5-a]pyrimidine-5-carboxylate?
The IUPAC name of ethyl 3-(3-fluorophenyl)-2-methyl-7-propylpyrazolo[1,5-a]pyrimidine-5-carboxylate (CID 137481252) is ethyl 3-(3-fluorophenyl)-2-methyl-7-propylpyrazolo[1,5-a]pyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 3-(3-fluorophenyl)-2-methyl-7-propylpyrazolo[1,5-a]pyrimidine-5-carboxylate?
The canonical SMILES for ethyl 3-(3-fluorophenyl)-2-methyl-7-propylpyrazolo[1,5-a]pyrimidine-5-carboxylate is CCCc1cc(C(=O)OCC)nc2c(-c3cccc(F)c3)c(C)nn12.
What is the InChIKey of ethyl 3-(3-fluorophenyl)-2-methyl-7-propylpyrazolo[1,5-a]pyrimidine-5-carboxylate?
The InChIKey is XKTPSUBGFUBHCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O2/c1-4-7-15-11-16(19(24)25-5-2)21-18-17(12(3)22-23(15)18)13-8-6-9-14(20)10-13/h6,8-11H,4-5,7H2,1-3H3.
What are the key properties of ethyl 3-(3-fluorophenyl)-2-methyl-7-propylpyrazolo[1,5-a]pyrimidine-5-carboxylate?
ethyl 3-(3-fluorophenyl)-2-methyl-7-propylpyrazolo[1,5-a]pyrimidine-5-carboxylate has a molecular weight of 341.39 g/mol, XLogP of 3.97, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(3-fluorophenyl)-2-methyl-7-propylpyrazolo[1,5-a]pyrimidine-5-carboxylate is sourced from PubChem (CID 137481252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).