methyl 7-[(4-fluorophenyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-5-carboxylate

C16H13FN4O3 — CID 59461839

IUPACmethyl 7-[(4-fluorophenyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-5-carboxylate
SMILESCOC(=O)c1cc(C(=O)NCc2ccc(F)cc2)n2nccc2n1
InChIInChI=1S/C16H13FN4O3/c1-24-16(23)12-8-13(21-14(20-12)6-7-19-21)15(22)18-9-10-2-4-11(17)5-3-10/h2-8H,9H2,1H3,(H,18,22)
InChIKeyBJIUZNJKVSQPSA-UHFFFAOYSA-N
MW328.30 g/mol
LogP1.59
Rot. Bonds4

About methyl 7-[(4-fluorophenyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-5-carboxylate

methyl 7-[(4-fluorophenyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-5-carboxylate (PubChem CID 59461839) has the molecular formula C16H13FN4O3 and a molecular weight of 328.30 g/mol. Its IUPAC name is methyl 7-[(4-fluorophenyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-5-carboxylate.

Molecular Properties

Compound Namemethyl 7-[(4-fluorophenyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-5-carboxylate
PubChem CID59461839
Molecular FormulaC16H13FN4O3
Molecular Weight328.30 g/mol
Exact Mass328.10
IUPAC Namemethyl 7-[(4-fluorophenyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-5-carboxylate
SMILESCOC(=O)c1cc(C(=O)NCc2ccc(F)cc2)n2nccc2n1
InChIInChI=1S/C16H13FN4O3/c1-24-16(23)12-8-13(21-14(20-12)6-7-19-21)15(22)18-9-10-2-4-11(17)5-3-10/h2-8H,9H2,1H3,(H,18,22)
InChIKeyBJIUZNJKVSQPSA-UHFFFAOYSA-N
XLogP1.59
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.30
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 7-[(4-fluorophenyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-5-carboxylate?
The IUPAC name of methyl 7-[(4-fluorophenyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-5-carboxylate (CID 59461839) is methyl 7-[(4-fluorophenyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-5-carboxylate.
What is the SMILES notation for methyl 7-[(4-fluorophenyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-5-carboxylate?
The canonical SMILES for methyl 7-[(4-fluorophenyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-5-carboxylate is COC(=O)c1cc(C(=O)NCc2ccc(F)cc2)n2nccc2n1.
What is the InChIKey of methyl 7-[(4-fluorophenyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-5-carboxylate?
The InChIKey is BJIUZNJKVSQPSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN4O3/c1-24-16(23)12-8-13(21-14(20-12)6-7-19-21)15(22)18-9-10-2-4-11(17)5-3-10/h2-8H,9H2,1H3,(H,18,22).
What are the key properties of methyl 7-[(4-fluorophenyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-5-carboxylate?
methyl 7-[(4-fluorophenyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-5-carboxylate has a molecular weight of 328.30 g/mol, XLogP of 1.59, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-[(4-fluorophenyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-5-carboxylate is sourced from PubChem (CID 59461839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).