methyl 5-[(4-fluoro-3-methylphenyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carboxylate

C17H15FN4O3 — CID 25057946

IUPACmethyl 5-[(4-fluoro-3-methylphenyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carboxylate
SMILESCOC(=O)c1cc(C(=O)NCc2ccc(F)c(C)c2)nc2ccnn12
InChIInChI=1S/C17H15FN4O3/c1-10-7-11(3-4-12(10)18)9-19-16(23)13-8-14(17(24)25-2)22-15(21-13)5-6-20-22/h3-8H,9H2,1-2H3,(H,19,23)
InChIKeyPCHAACUKZLJDAJ-UHFFFAOYSA-N
MW342.33 g/mol
LogP1.89
Rot. Bonds4

About methyl 5-[(4-fluoro-3-methylphenyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carboxylate

methyl 5-[(4-fluoro-3-methylphenyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carboxylate (PubChem CID 25057946) has the molecular formula C17H15FN4O3 and a molecular weight of 342.33 g/mol. Its IUPAC name is methyl 5-[(4-fluoro-3-methylphenyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carboxylate.

Molecular Properties

Compound Namemethyl 5-[(4-fluoro-3-methylphenyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carboxylate
PubChem CID25057946
Molecular FormulaC17H15FN4O3
Molecular Weight342.33 g/mol
Exact Mass342.11
IUPAC Namemethyl 5-[(4-fluoro-3-methylphenyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carboxylate
SMILESCOC(=O)c1cc(C(=O)NCc2ccc(F)c(C)c2)nc2ccnn12
InChIInChI=1S/C17H15FN4O3/c1-10-7-11(3-4-12(10)18)9-19-16(23)13-8-14(17(24)25-2)22-15(21-13)5-6-20-22/h3-8H,9H2,1-2H3,(H,19,23)
InChIKeyPCHAACUKZLJDAJ-UHFFFAOYSA-N
XLogP1.89
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.33
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 5-[(4-fluoro-3-methylphenyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carboxylate?
The IUPAC name of methyl 5-[(4-fluoro-3-methylphenyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carboxylate (CID 25057946) is methyl 5-[(4-fluoro-3-methylphenyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carboxylate.
What is the SMILES notation for methyl 5-[(4-fluoro-3-methylphenyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carboxylate?
The canonical SMILES for methyl 5-[(4-fluoro-3-methylphenyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carboxylate is COC(=O)c1cc(C(=O)NCc2ccc(F)c(C)c2)nc2ccnn12.
What is the InChIKey of methyl 5-[(4-fluoro-3-methylphenyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carboxylate?
The InChIKey is PCHAACUKZLJDAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN4O3/c1-10-7-11(3-4-12(10)18)9-19-16(23)13-8-14(17(24)25-2)22-15(21-13)5-6-20-22/h3-8H,9H2,1-2H3,(H,19,23).
What are the key properties of methyl 5-[(4-fluoro-3-methylphenyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carboxylate?
methyl 5-[(4-fluoro-3-methylphenyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carboxylate has a molecular weight of 342.33 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[(4-fluoro-3-methylphenyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carboxylate is sourced from PubChem (CID 25057946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).