N-(5-ethenyl-2-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C16H14N4O2 — CID 58056171

IUPACN-(5-ethenyl-2-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESC=Cc1ccc(OC)c(NC(=O)c2cnn3cccnc23)c1
InChIInChI=1S/C16H14N4O2/c1-3-11-5-6-14(22-2)13(9-11)19-16(21)12-10-18-20-8-4-7-17-15(12)20/h3-10H,1H2,2H3,(H,19,21)
InChIKeyOHRJPWCNBBTUIX-UHFFFAOYSA-N
MW294.31 g/mol
LogP2.63
Rot. Bonds4

About N-(5-ethenyl-2-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-(5-ethenyl-2-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 58056171) has the molecular formula C16H14N4O2 and a molecular weight of 294.31 g/mol. Its IUPAC name is N-(5-ethenyl-2-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-(5-ethenyl-2-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID58056171
Molecular FormulaC16H14N4O2
Molecular Weight294.31 g/mol
Exact Mass294.11
IUPAC NameN-(5-ethenyl-2-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESC=Cc1ccc(OC)c(NC(=O)c2cnn3cccnc23)c1
InChIInChI=1S/C16H14N4O2/c1-3-11-5-6-14(22-2)13(9-11)19-16(21)12-10-18-20-8-4-7-17-15(12)20/h3-10H,1H2,2H3,(H,19,21)
InChIKeyOHRJPWCNBBTUIX-UHFFFAOYSA-N
XLogP2.63
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-ethenyl-2-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-(5-ethenyl-2-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 58056171) is N-(5-ethenyl-2-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-(5-ethenyl-2-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-(5-ethenyl-2-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is C=Cc1ccc(OC)c(NC(=O)c2cnn3cccnc23)c1.
What is the InChIKey of N-(5-ethenyl-2-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is OHRJPWCNBBTUIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O2/c1-3-11-5-6-14(22-2)13(9-11)19-16(21)12-10-18-20-8-4-7-17-15(12)20/h3-10H,1H2,2H3,(H,19,21).
What are the key properties of N-(5-ethenyl-2-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-(5-ethenyl-2-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 294.31 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethenyl-2-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 58056171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).