7-ethyl-N-[(3-fluorophenyl)methyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide

C16H15FN4O — CID 53040820

IUPAC7-ethyl-N-[(3-fluorophenyl)methyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide
SMILESCCc1cc(C(=O)NCc2cccc(F)c2)nc2ccnn12
InChIInChI=1S/C16H15FN4O/c1-2-13-9-14(20-15-6-7-19-21(13)15)16(22)18-10-11-4-3-5-12(17)8-11/h3-9H,2,10H2,1H3,(H,18,22)
InChIKeyVPZRPJAQQABJFD-UHFFFAOYSA-N
MW298.32 g/mol
LogP2.36
Rot. Bonds4

About 7-ethyl-N-[(3-fluorophenyl)methyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide

7-ethyl-N-[(3-fluorophenyl)methyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide (PubChem CID 53040820) has the molecular formula C16H15FN4O and a molecular weight of 298.32 g/mol. Its IUPAC name is 7-ethyl-N-[(3-fluorophenyl)methyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name7-ethyl-N-[(3-fluorophenyl)methyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide
PubChem CID53040820
Molecular FormulaC16H15FN4O
Molecular Weight298.32 g/mol
Exact Mass298.12
IUPAC Name7-ethyl-N-[(3-fluorophenyl)methyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide
SMILESCCc1cc(C(=O)NCc2cccc(F)c2)nc2ccnn12
InChIInChI=1S/C16H15FN4O/c1-2-13-9-14(20-15-6-7-19-21(13)15)16(22)18-10-11-4-3-5-12(17)8-11/h3-9H,2,10H2,1H3,(H,18,22)
InChIKeyVPZRPJAQQABJFD-UHFFFAOYSA-N
XLogP2.36
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.32
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-ethyl-N-[(3-fluorophenyl)methyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide?
The IUPAC name of 7-ethyl-N-[(3-fluorophenyl)methyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide (CID 53040820) is 7-ethyl-N-[(3-fluorophenyl)methyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide.
What is the SMILES notation for 7-ethyl-N-[(3-fluorophenyl)methyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide?
The canonical SMILES for 7-ethyl-N-[(3-fluorophenyl)methyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide is CCc1cc(C(=O)NCc2cccc(F)c2)nc2ccnn12.
What is the InChIKey of 7-ethyl-N-[(3-fluorophenyl)methyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide?
The InChIKey is VPZRPJAQQABJFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN4O/c1-2-13-9-14(20-15-6-7-19-21(13)15)16(22)18-10-11-4-3-5-12(17)8-11/h3-9H,2,10H2,1H3,(H,18,22).
What are the key properties of 7-ethyl-N-[(3-fluorophenyl)methyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide?
7-ethyl-N-[(3-fluorophenyl)methyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide has a molecular weight of 298.32 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-N-[(3-fluorophenyl)methyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide is sourced from PubChem (CID 53040820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).