N-(3,4-dichlorophenyl)-5-methyl-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide

C20H14Cl2N4O — CID 46907773

IUPACN-(3,4-dichlorophenyl)-5-methyl-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1cc(-c2ccccc2)n2ncc(C(=O)Nc3ccc(Cl)c(Cl)c3)c2n1
InChIInChI=1S/C20H14Cl2N4O/c1-12-9-18(13-5-3-2-4-6-13)26-19(24-12)15(11-23-26)20(27)25-14-7-8-16(21)17(22)10-14/h2-11H,1H3,(H,25,27)
InChIKeyIZHOVQURYPJAAH-UHFFFAOYSA-N
MW397.27 g/mol
LogP5.26
Rot. Bonds3

About N-(3,4-dichlorophenyl)-5-methyl-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide

N-(3,4-dichlorophenyl)-5-methyl-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 46907773) has the molecular formula C20H14Cl2N4O and a molecular weight of 397.27 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-5-methyl-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-5-methyl-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID46907773
Molecular FormulaC20H14Cl2N4O
Molecular Weight397.27 g/mol
Exact Mass396.05
IUPAC NameN-(3,4-dichlorophenyl)-5-methyl-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1cc(-c2ccccc2)n2ncc(C(=O)Nc3ccc(Cl)c(Cl)c3)c2n1
InChIInChI=1S/C20H14Cl2N4O/c1-12-9-18(13-5-3-2-4-6-13)26-19(24-12)15(11-23-26)20(27)25-14-7-8-16(21)17(22)10-14/h2-11H,1H3,(H,25,27)
InChIKeyIZHOVQURYPJAAH-UHFFFAOYSA-N
XLogP5.26
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.27
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-5-methyl-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-(3,4-dichlorophenyl)-5-methyl-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 46907773) is N-(3,4-dichlorophenyl)-5-methyl-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)-5-methyl-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-(3,4-dichlorophenyl)-5-methyl-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1cc(-c2ccccc2)n2ncc(C(=O)Nc3ccc(Cl)c(Cl)c3)c2n1.
What is the InChIKey of N-(3,4-dichlorophenyl)-5-methyl-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is IZHOVQURYPJAAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14Cl2N4O/c1-12-9-18(13-5-3-2-4-6-13)26-19(24-12)15(11-23-26)20(27)25-14-7-8-16(21)17(22)10-14/h2-11H,1H3,(H,25,27).
What are the key properties of N-(3,4-dichlorophenyl)-5-methyl-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-(3,4-dichlorophenyl)-5-methyl-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 397.27 g/mol, XLogP of 5.26, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-5-methyl-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 46907773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).