2-methyl-N-(2-phenylethyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide

C16H16N4O — CID 84576023

IUPAC2-methyl-N-(2-phenylethyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide
SMILESCc1cc2nccc(C(=O)NCCc3ccccc3)n2n1
InChIInChI=1S/C16H16N4O/c1-12-11-15-17-10-8-14(20(15)19-12)16(21)18-9-7-13-5-3-2-4-6-13/h2-6,8,10-11H,7,9H2,1H3,(H,18,21)
InChIKeyVNVBGHRQOWBCGK-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.01
Rot. Bonds4

About 2-methyl-N-(2-phenylethyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide

2-methyl-N-(2-phenylethyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide (PubChem CID 84576023) has the molecular formula C16H16N4O and a molecular weight of 280.33 g/mol. Its IUPAC name is 2-methyl-N-(2-phenylethyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide.

Molecular Properties

Compound Name2-methyl-N-(2-phenylethyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide
PubChem CID84576023
Molecular FormulaC16H16N4O
Molecular Weight280.33 g/mol
Exact Mass280.13
IUPAC Name2-methyl-N-(2-phenylethyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide
SMILESCc1cc2nccc(C(=O)NCCc3ccccc3)n2n1
InChIInChI=1S/C16H16N4O/c1-12-11-15-17-10-8-14(20(15)19-12)16(21)18-9-7-13-5-3-2-4-6-13/h2-6,8,10-11H,7,9H2,1H3,(H,18,21)
InChIKeyVNVBGHRQOWBCGK-UHFFFAOYSA-N
XLogP2.01
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-[2-(4-sulfamoylphenyl)ethyl]pyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 84575518
N-[2-(4-methoxyphenoxy)ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 84575522
N-tert-butyl-2-methylpyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 84580925
N-(1,3-benzodioxol-5-ylmethyl)-2-methylpyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 84575392
5-methyl-2-phenyl-N-(3-phenylpropyl)pyrazole-3-carboxamide
CID 20861279
2,5-diphenyl-N-(2-phenylethyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 46079173
6-methyl-N-(2-phenylethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 155985791
N-[2-(4-hydroxyphenyl)ethyl]-2,5-dimethylpyrazole-3-carboxamide
CID 61357227
N-(2,5-difluorophenyl)-2-methylpyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 84575701
N-benzyl-6-chloro-7-methylimidazo[1,2-b]pyridazine-3-carboxamide
CID 162475361
2-methoxy-N-(2-phenylethyl)pyridine-4-carboxamide
CID 84580463
N-[2-(4-chlorophenyl)ethyl]-2,7-dimethylpyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 110853496

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-phenylethyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide?
The IUPAC name of 2-methyl-N-(2-phenylethyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide (CID 84576023) is 2-methyl-N-(2-phenylethyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide.
What is the SMILES notation for 2-methyl-N-(2-phenylethyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide?
The canonical SMILES for 2-methyl-N-(2-phenylethyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide is Cc1cc2nccc(C(=O)NCCc3ccccc3)n2n1.
What is the InChIKey of 2-methyl-N-(2-phenylethyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide?
The InChIKey is VNVBGHRQOWBCGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O/c1-12-11-15-17-10-8-14(20(15)19-12)16(21)18-9-7-13-5-3-2-4-6-13/h2-6,8,10-11H,7,9H2,1H3,(H,18,21).
What are the key properties of 2-methyl-N-(2-phenylethyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide?
2-methyl-N-(2-phenylethyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide has a molecular weight of 280.33 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-phenylethyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide is sourced from PubChem (CID 84576023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).