6-(2-chlorophenyl)-7-(4-chlorophenyl)-N-(1-methylcyclohexyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C26H24Cl2N4O — CID 24772732

IUPAC6-(2-chlorophenyl)-7-(4-chlorophenyl)-N-(1-methylcyclohexyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCC1(NC(=O)c2cnn3c(-c4ccc(Cl)cc4)c(-c4ccccc4Cl)cnc23)CCCCC1
InChIInChI=1S/C26H24Cl2N4O/c1-26(13-5-2-6-14-26)31-25(33)21-16-30-32-23(17-9-11-18(27)12-10-17)20(15-29-24(21)32)19-7-3-4-8-22(19)28/h3-4,7-12,15-16H,2,5-6,13-14H2,1H3,(H,31,33)
InChIKeyUVMYGLSWIQQBTO-UHFFFAOYSA-N
MW479.41 g/mol
LogP6.82
Rot. Bonds4

About 6-(2-chlorophenyl)-7-(4-chlorophenyl)-N-(1-methylcyclohexyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

6-(2-chlorophenyl)-7-(4-chlorophenyl)-N-(1-methylcyclohexyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 24772732) has the molecular formula C26H24Cl2N4O and a molecular weight of 479.41 g/mol. Its IUPAC name is 6-(2-chlorophenyl)-7-(4-chlorophenyl)-N-(1-methylcyclohexyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name6-(2-chlorophenyl)-7-(4-chlorophenyl)-N-(1-methylcyclohexyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID24772732
Molecular FormulaC26H24Cl2N4O
Molecular Weight479.41 g/mol
Exact Mass478.13
IUPAC Name6-(2-chlorophenyl)-7-(4-chlorophenyl)-N-(1-methylcyclohexyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCC1(NC(=O)c2cnn3c(-c4ccc(Cl)cc4)c(-c4ccccc4Cl)cnc23)CCCCC1
InChIInChI=1S/C26H24Cl2N4O/c1-26(13-5-2-6-14-26)31-25(33)21-16-30-32-23(17-9-11-18(27)12-10-17)20(15-29-24(21)32)19-7-3-4-8-22(19)28/h3-4,7-12,15-16H,2,5-6,13-14H2,1H3,(H,31,33)
InChIKeyUVMYGLSWIQQBTO-UHFFFAOYSA-N
XLogP6.82
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.41
LogP ≤ 56.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(2-chlorophenyl)-7-(4-chlorophenyl)-N-(1-methylcyclohexyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 6-(2-chlorophenyl)-7-(4-chlorophenyl)-N-(1-methylcyclohexyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 24772732) is 6-(2-chlorophenyl)-7-(4-chlorophenyl)-N-(1-methylcyclohexyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 6-(2-chlorophenyl)-7-(4-chlorophenyl)-N-(1-methylcyclohexyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 6-(2-chlorophenyl)-7-(4-chlorophenyl)-N-(1-methylcyclohexyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is CC1(NC(=O)c2cnn3c(-c4ccc(Cl)cc4)c(-c4ccccc4Cl)cnc23)CCCCC1.
What is the InChIKey of 6-(2-chlorophenyl)-7-(4-chlorophenyl)-N-(1-methylcyclohexyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is UVMYGLSWIQQBTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24Cl2N4O/c1-26(13-5-2-6-14-26)31-25(33)21-16-30-32-23(17-9-11-18(27)12-10-17)20(15-29-24(21)32)19-7-3-4-8-22(19)28/h3-4,7-12,15-16H,2,5-6,13-14H2,1H3,(H,31,33).
What are the key properties of 6-(2-chlorophenyl)-7-(4-chlorophenyl)-N-(1-methylcyclohexyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
6-(2-chlorophenyl)-7-(4-chlorophenyl)-N-(1-methylcyclohexyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 479.41 g/mol, XLogP of 6.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-chlorophenyl)-7-(4-chlorophenyl)-N-(1-methylcyclohexyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 24772732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).