3-ethyl-7-(3-methoxyanilino)pyrazolo[1,5-a]pyrimidine-6-carboxamide

C16H17N5O2 — CID 127038253

IUPAC3-ethyl-7-(3-methoxyanilino)pyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCCc1cnn2c(Nc3cccc(OC)c3)c(C(N)=O)cnc12
InChIInChI=1S/C16H17N5O2/c1-3-10-8-19-21-15(10)18-9-13(14(17)22)16(21)20-11-5-4-6-12(7-11)23-2/h4-9,20H,3H2,1-2H3,(H2,17,22)
InChIKeyKGLHLZYBYAUNGT-UHFFFAOYSA-N
MW311.35 g/mol
LogP2.14
Rot. Bonds5

About 3-ethyl-7-(3-methoxyanilino)pyrazolo[1,5-a]pyrimidine-6-carboxamide

3-ethyl-7-(3-methoxyanilino)pyrazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 127038253) has the molecular formula C16H17N5O2 and a molecular weight of 311.35 g/mol. Its IUPAC name is 3-ethyl-7-(3-methoxyanilino)pyrazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name3-ethyl-7-(3-methoxyanilino)pyrazolo[1,5-a]pyrimidine-6-carboxamide
PubChem CID127038253
Molecular FormulaC16H17N5O2
Molecular Weight311.35 g/mol
Exact Mass311.14
IUPAC Name3-ethyl-7-(3-methoxyanilino)pyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCCc1cnn2c(Nc3cccc(OC)c3)c(C(N)=O)cnc12
InChIInChI=1S/C16H17N5O2/c1-3-10-8-19-21-15(10)18-9-13(14(17)22)16(21)20-11-5-4-6-12(7-11)23-2/h4-9,20H,3H2,1-2H3,(H2,17,22)
InChIKeyKGLHLZYBYAUNGT-UHFFFAOYSA-N
XLogP2.14
TPSA94.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.35
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-7-(3-methoxyanilino)pyrazolo[1,5-a]pyrimidine-6-carboxamide?
The IUPAC name of 3-ethyl-7-(3-methoxyanilino)pyrazolo[1,5-a]pyrimidine-6-carboxamide (CID 127038253) is 3-ethyl-7-(3-methoxyanilino)pyrazolo[1,5-a]pyrimidine-6-carboxamide.
What is the SMILES notation for 3-ethyl-7-(3-methoxyanilino)pyrazolo[1,5-a]pyrimidine-6-carboxamide?
The canonical SMILES for 3-ethyl-7-(3-methoxyanilino)pyrazolo[1,5-a]pyrimidine-6-carboxamide is CCc1cnn2c(Nc3cccc(OC)c3)c(C(N)=O)cnc12.
What is the InChIKey of 3-ethyl-7-(3-methoxyanilino)pyrazolo[1,5-a]pyrimidine-6-carboxamide?
The InChIKey is KGLHLZYBYAUNGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O2/c1-3-10-8-19-21-15(10)18-9-13(14(17)22)16(21)20-11-5-4-6-12(7-11)23-2/h4-9,20H,3H2,1-2H3,(H2,17,22).
What are the key properties of 3-ethyl-7-(3-methoxyanilino)pyrazolo[1,5-a]pyrimidine-6-carboxamide?
3-ethyl-7-(3-methoxyanilino)pyrazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 311.35 g/mol, XLogP of 2.14, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-7-(3-methoxyanilino)pyrazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 127038253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).