N-[2-methyl-5-(1,2,4-oxadiazol-3-yl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C16H12N6O2 — CID 178051693

IUPACN-[2-methyl-5-(1,2,4-oxadiazol-3-yl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1ccc(-c2ncon2)cc1NC(=O)c1cnn2cccnc12
InChIInChI=1S/C16H12N6O2/c1-10-3-4-11(14-18-9-24-21-14)7-13(10)20-16(23)12-8-19-22-6-2-5-17-15(12)22/h2-9H,1H3,(H,20,23)
InChIKeyIMNKCVBIPHVPHX-UHFFFAOYSA-N
MW320.31 g/mol
LogP2.34
Rot. Bonds3

About N-[2-methyl-5-(1,2,4-oxadiazol-3-yl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[2-methyl-5-(1,2,4-oxadiazol-3-yl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 178051693) has the molecular formula C16H12N6O2 and a molecular weight of 320.31 g/mol. Its IUPAC name is N-[2-methyl-5-(1,2,4-oxadiazol-3-yl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-methyl-5-(1,2,4-oxadiazol-3-yl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID178051693
Molecular FormulaC16H12N6O2
Molecular Weight320.31 g/mol
Exact Mass320.10
IUPAC NameN-[2-methyl-5-(1,2,4-oxadiazol-3-yl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1ccc(-c2ncon2)cc1NC(=O)c1cnn2cccnc12
InChIInChI=1S/C16H12N6O2/c1-10-3-4-11(14-18-9-24-21-14)7-13(10)20-16(23)12-8-19-22-6-2-5-17-15(12)22/h2-9H,1H3,(H,20,23)
InChIKeyIMNKCVBIPHVPHX-UHFFFAOYSA-N
XLogP2.34
TPSA98.21 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.31
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2-hydroxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19414443
N-(5-methyl-1,2-oxazol-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 1251288
azetidine;N-[2-methyl-5-(1,2,4-oxadiazol-3-yl)phenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 171796634
N-(2-phenylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 58056308
N-(2-hydroxy-5-nitrophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19414727
7-(dimethylamino)-N-[2-methyl-5-(1,2,4-oxadiazol-3-yl)phenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 171796999
N-(3-acetylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 4151653
N-(4-acetylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 1256529
N-[2-(2-methylphenyl)pyrazol-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 70498397
N-(5-chloro-2-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 755928
N-(2-nitrophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19414583
dimethyl 5-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)benzene-1,3-dicarboxylate
CID 5112652

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-5-(1,2,4-oxadiazol-3-yl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[2-methyl-5-(1,2,4-oxadiazol-3-yl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 178051693) is N-[2-methyl-5-(1,2,4-oxadiazol-3-yl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[2-methyl-5-(1,2,4-oxadiazol-3-yl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[2-methyl-5-(1,2,4-oxadiazol-3-yl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1ccc(-c2ncon2)cc1NC(=O)c1cnn2cccnc12.
What is the InChIKey of N-[2-methyl-5-(1,2,4-oxadiazol-3-yl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is IMNKCVBIPHVPHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N6O2/c1-10-3-4-11(14-18-9-24-21-14)7-13(10)20-16(23)12-8-19-22-6-2-5-17-15(12)22/h2-9H,1H3,(H,20,23).
What are the key properties of N-[2-methyl-5-(1,2,4-oxadiazol-3-yl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[2-methyl-5-(1,2,4-oxadiazol-3-yl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 320.31 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-5-(1,2,4-oxadiazol-3-yl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 178051693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).