ethyl 2-(4-amino-2-fluorophenyl)-7-ethylpyrazolo[1,5-a]pyrimidine-5-carboxylate

C17H17FN4O2 — CID 134430692

IUPACethyl 2-(4-amino-2-fluorophenyl)-7-ethylpyrazolo[1,5-a]pyrimidine-5-carboxylate
SMILESCCOC(=O)c1cc(CC)n2nc(-c3ccc(N)cc3F)cc2n1
InChIInChI=1S/C17H17FN4O2/c1-3-11-8-15(17(23)24-4-2)20-16-9-14(21-22(11)16)12-6-5-10(19)7-13(12)18/h5-9H,3-4,19H2,1-2H3
InChIKeyUKDCUGQRBPJUMH-UHFFFAOYSA-N
MW328.35 g/mol
LogP2.86
Rot. Bonds4

About ethyl 2-(4-amino-2-fluorophenyl)-7-ethylpyrazolo[1,5-a]pyrimidine-5-carboxylate

ethyl 2-(4-amino-2-fluorophenyl)-7-ethylpyrazolo[1,5-a]pyrimidine-5-carboxylate (PubChem CID 134430692) has the molecular formula C17H17FN4O2 and a molecular weight of 328.35 g/mol. Its IUPAC name is ethyl 2-(4-amino-2-fluorophenyl)-7-ethylpyrazolo[1,5-a]pyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-(4-amino-2-fluorophenyl)-7-ethylpyrazolo[1,5-a]pyrimidine-5-carboxylate
PubChem CID134430692
Molecular FormulaC17H17FN4O2
Molecular Weight328.35 g/mol
Exact Mass328.13
IUPAC Nameethyl 2-(4-amino-2-fluorophenyl)-7-ethylpyrazolo[1,5-a]pyrimidine-5-carboxylate
SMILESCCOC(=O)c1cc(CC)n2nc(-c3ccc(N)cc3F)cc2n1
InChIInChI=1S/C17H17FN4O2/c1-3-11-8-15(17(23)24-4-2)20-16-9-14(21-22(11)16)12-6-5-10(19)7-13(12)18/h5-9H,3-4,19H2,1-2H3
InChIKeyUKDCUGQRBPJUMH-UHFFFAOYSA-N
XLogP2.86
TPSA82.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.35
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-(4-carbamoyl-2-fluorophenyl)-7-ethylpyrazolo[1,5-a]pyrimidine-5-carboxylate
CID 122663426
ethyl 6-[4-[7-ethyl-5-[(2R)-2-methylazepane-1-carbonyl]pyrazolo[1,5-a]pyrimidin-2-yl]-3-fluoro-N-methylanilino]pyridine-3-carboxylate
CID 134430950
ethyl 2-[4-[7-ethyl-5-[(2R)-2-methylazepane-1-carbonyl]pyrazolo[1,5-a]pyrimidin-2-yl]-3-fluorophenyl]-1,3-thiazole-5-carboxylate
CID 134430931
ethyl 7-methyl-2-(2-methyl-4-nitrophenyl)pyrazolo[1,5-a]pyrimidine-5-carboxylate
CID 134430636
ethyl 4-[4-[7-ethyl-5-[(2R)-2-methylazepane-1-carbonyl]pyrazolo[1,5-a]pyrimidin-2-yl]-3-fluorophenyl]cyclohexane-1-carboxylate
CID 122663330
ethyl 7-(3,4-difluorophenyl)-2-phenylpyrazolo[1,5-a]pyrimidine-5-carboxylate
CID 164946423
ethyl 6-[4-[7-ethyl-5-[(1R)-1-methyl-3,4-dihydro-1H-isoquinoline-2-carbonyl]pyrazolo[1,5-a]pyrimidin-2-yl]-3-fluorophenyl]pyridine-3-carboxylate
CID 134430822
ethyl (1S)-2-[4-[7-ethyl-5-[(2R)-2-methylazepane-1-carbonyl]pyrazolo[1,5-a]pyrimidin-2-yl]-3-fluorophenyl]-2,3,3-trimethylcyclopropane-1-carboxylate
CID 166805195
ethyl 1-[4-[7-ethyl-5-[(1R)-1-methyl-3,4-dihydro-1H-isoquinoline-2-carbonyl]pyrazolo[1,5-a]pyrimidin-2-yl]-3-fluorophenyl]pyrazole-4-carboxylate
CID 134430936
ethyl (3S)-1-[4-[7-ethyl-5-[(2R)-2-methylazepane-1-carbonyl]pyrazolo[1,5-a]pyrimidin-2-yl]-3-fluorophenyl]piperidine-3-carboxylate
CID 134430902
ethyl (E)-3-[4-[7-ethyl-5-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3-fluorophenyl]prop-2-enoate
CID 139400789
4-[7-ethyl-5-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3-fluorobenzamide
CID 134431178

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-amino-2-fluorophenyl)-7-ethylpyrazolo[1,5-a]pyrimidine-5-carboxylate?
The IUPAC name of ethyl 2-(4-amino-2-fluorophenyl)-7-ethylpyrazolo[1,5-a]pyrimidine-5-carboxylate (CID 134430692) is ethyl 2-(4-amino-2-fluorophenyl)-7-ethylpyrazolo[1,5-a]pyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 2-(4-amino-2-fluorophenyl)-7-ethylpyrazolo[1,5-a]pyrimidine-5-carboxylate?
The canonical SMILES for ethyl 2-(4-amino-2-fluorophenyl)-7-ethylpyrazolo[1,5-a]pyrimidine-5-carboxylate is CCOC(=O)c1cc(CC)n2nc(-c3ccc(N)cc3F)cc2n1.
What is the InChIKey of ethyl 2-(4-amino-2-fluorophenyl)-7-ethylpyrazolo[1,5-a]pyrimidine-5-carboxylate?
The InChIKey is UKDCUGQRBPJUMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN4O2/c1-3-11-8-15(17(23)24-4-2)20-16-9-14(21-22(11)16)12-6-5-10(19)7-13(12)18/h5-9H,3-4,19H2,1-2H3.
What are the key properties of ethyl 2-(4-amino-2-fluorophenyl)-7-ethylpyrazolo[1,5-a]pyrimidine-5-carboxylate?
ethyl 2-(4-amino-2-fluorophenyl)-7-ethylpyrazolo[1,5-a]pyrimidine-5-carboxylate has a molecular weight of 328.35 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-amino-2-fluorophenyl)-7-ethylpyrazolo[1,5-a]pyrimidine-5-carboxylate is sourced from PubChem (CID 134430692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).