N-(4-ethoxy-3-fluorophenyl)-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide

C16H15FN4O2 — CID 87030954

IUPACN-(4-ethoxy-3-fluorophenyl)-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCOc1ccc(NC(=O)c2c(C)nn3cccnc23)cc1F
InChIInChI=1S/C16H15FN4O2/c1-3-23-13-6-5-11(9-12(13)17)19-16(22)14-10(2)20-21-8-4-7-18-15(14)21/h4-9H,3H2,1-2H3,(H,19,22)
InChIKeyQPXDGGJUWPKUGC-UHFFFAOYSA-N
MW314.32 g/mol
LogP2.83
Rot. Bonds4

About N-(4-ethoxy-3-fluorophenyl)-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide

N-(4-ethoxy-3-fluorophenyl)-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 87030954) has the molecular formula C16H15FN4O2 and a molecular weight of 314.32 g/mol. Its IUPAC name is N-(4-ethoxy-3-fluorophenyl)-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-(4-ethoxy-3-fluorophenyl)-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID87030954
Molecular FormulaC16H15FN4O2
Molecular Weight314.32 g/mol
Exact Mass314.12
IUPAC NameN-(4-ethoxy-3-fluorophenyl)-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCOc1ccc(NC(=O)c2c(C)nn3cccnc23)cc1F
InChIInChI=1S/C16H15FN4O2/c1-3-23-13-6-5-11(9-12(13)17)19-16(22)14-10(2)20-21-8-4-7-18-15(14)21/h4-9H,3H2,1-2H3,(H,19,22)
InChIKeyQPXDGGJUWPKUGC-UHFFFAOYSA-N
XLogP2.83
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.32
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxy-3-fluorophenyl)-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-(4-ethoxy-3-fluorophenyl)-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 87030954) is N-(4-ethoxy-3-fluorophenyl)-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-(4-ethoxy-3-fluorophenyl)-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-(4-ethoxy-3-fluorophenyl)-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide is CCOc1ccc(NC(=O)c2c(C)nn3cccnc23)cc1F.
What is the InChIKey of N-(4-ethoxy-3-fluorophenyl)-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is QPXDGGJUWPKUGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN4O2/c1-3-23-13-6-5-11(9-12(13)17)19-16(22)14-10(2)20-21-8-4-7-18-15(14)21/h4-9H,3H2,1-2H3,(H,19,22).
What are the key properties of N-(4-ethoxy-3-fluorophenyl)-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-(4-ethoxy-3-fluorophenyl)-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 314.32 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxy-3-fluorophenyl)-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 87030954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).