2,7-dimethyl-N,3-diphenylpyrazolo[1,5-a]pyrimidine-6-carboxamide

C21H18N4O — CID 936600

IUPAC2,7-dimethyl-N,3-diphenylpyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCc1nn2c(C)c(C(=O)Nc3ccccc3)cnc2c1-c1ccccc1
InChIInChI=1S/C21H18N4O/c1-14-19(16-9-5-3-6-10-16)20-22-13-18(15(2)25(20)24-14)21(26)23-17-11-7-4-8-12-17/h3-13H,1-2H3,(H,23,26)
InChIKeyPDHSYNHJTRLCHU-UHFFFAOYSA-N
MW342.40 g/mol
LogP4.27
Rot. Bonds3

About 2,7-dimethyl-N,3-diphenylpyrazolo[1,5-a]pyrimidine-6-carboxamide

2,7-dimethyl-N,3-diphenylpyrazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 936600) has the molecular formula C21H18N4O and a molecular weight of 342.40 g/mol. Its IUPAC name is 2,7-dimethyl-N,3-diphenylpyrazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name2,7-dimethyl-N,3-diphenylpyrazolo[1,5-a]pyrimidine-6-carboxamide
PubChem CID936600
Molecular FormulaC21H18N4O
Molecular Weight342.40 g/mol
Exact Mass342.15
IUPAC Name2,7-dimethyl-N,3-diphenylpyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCc1nn2c(C)c(C(=O)Nc3ccccc3)cnc2c1-c1ccccc1
InChIInChI=1S/C21H18N4O/c1-14-19(16-9-5-3-6-10-16)20-22-13-18(15(2)25(20)24-14)21(26)23-17-11-7-4-8-12-17/h3-13H,1-2H3,(H,23,26)
InChIKeyPDHSYNHJTRLCHU-UHFFFAOYSA-N
XLogP4.27
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,7-dimethyl-N,3-diphenylpyrazolo[1,5-a]pyrimidine-6-carboxamide?
The IUPAC name of 2,7-dimethyl-N,3-diphenylpyrazolo[1,5-a]pyrimidine-6-carboxamide (CID 936600) is 2,7-dimethyl-N,3-diphenylpyrazolo[1,5-a]pyrimidine-6-carboxamide.
What is the SMILES notation for 2,7-dimethyl-N,3-diphenylpyrazolo[1,5-a]pyrimidine-6-carboxamide?
The canonical SMILES for 2,7-dimethyl-N,3-diphenylpyrazolo[1,5-a]pyrimidine-6-carboxamide is Cc1nn2c(C)c(C(=O)Nc3ccccc3)cnc2c1-c1ccccc1.
What is the InChIKey of 2,7-dimethyl-N,3-diphenylpyrazolo[1,5-a]pyrimidine-6-carboxamide?
The InChIKey is PDHSYNHJTRLCHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O/c1-14-19(16-9-5-3-6-10-16)20-22-13-18(15(2)25(20)24-14)21(26)23-17-11-7-4-8-12-17/h3-13H,1-2H3,(H,23,26).
What are the key properties of 2,7-dimethyl-N,3-diphenylpyrazolo[1,5-a]pyrimidine-6-carboxamide?
2,7-dimethyl-N,3-diphenylpyrazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 342.40 g/mol, XLogP of 4.27, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dimethyl-N,3-diphenylpyrazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 936600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).