3-(3-chlorophenyl)-N-(2-cyclohexylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide

C25H23ClN4O — CID 58628251

IUPAC3-(3-chlorophenyl)-N-(2-cyclohexylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide
SMILESO=C(Nc1ccccc1C1CCCCC1)c1ccn2ncc(-c3cccc(Cl)c3)c2n1
InChIInChI=1S/C25H23ClN4O/c26-19-10-6-9-18(15-19)21-16-27-30-14-13-23(28-24(21)30)25(31)29-22-12-5-4-11-20(22)17-7-2-1-3-8-17/h4-6,9-17H,1-3,7-8H2,(H,29,31)
InChIKeyXGGKKARREKGDTL-UHFFFAOYSA-N
MW430.94 g/mol
LogP6.35
Rot. Bonds4

About 3-(3-chlorophenyl)-N-(2-cyclohexylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide

3-(3-chlorophenyl)-N-(2-cyclohexylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide (PubChem CID 58628251) has the molecular formula C25H23ClN4O and a molecular weight of 430.94 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-N-(2-cyclohexylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name3-(3-chlorophenyl)-N-(2-cyclohexylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide
PubChem CID58628251
Molecular FormulaC25H23ClN4O
Molecular Weight430.94 g/mol
Exact Mass430.16
IUPAC Name3-(3-chlorophenyl)-N-(2-cyclohexylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide
SMILESO=C(Nc1ccccc1C1CCCCC1)c1ccn2ncc(-c3cccc(Cl)c3)c2n1
InChIInChI=1S/C25H23ClN4O/c26-19-10-6-9-18(15-19)21-16-27-30-14-13-23(28-24(21)30)25(31)29-22-12-5-4-11-20(22)17-7-2-1-3-8-17/h4-6,9-17H,1-3,7-8H2,(H,29,31)
InChIKeyXGGKKARREKGDTL-UHFFFAOYSA-N
XLogP6.35
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.94
LogP ≤ 56.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-N-(2-cyclohexylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide?
The IUPAC name of 3-(3-chlorophenyl)-N-(2-cyclohexylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide (CID 58628251) is 3-(3-chlorophenyl)-N-(2-cyclohexylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide.
What is the SMILES notation for 3-(3-chlorophenyl)-N-(2-cyclohexylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide?
The canonical SMILES for 3-(3-chlorophenyl)-N-(2-cyclohexylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide is O=C(Nc1ccccc1C1CCCCC1)c1ccn2ncc(-c3cccc(Cl)c3)c2n1.
What is the InChIKey of 3-(3-chlorophenyl)-N-(2-cyclohexylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide?
The InChIKey is XGGKKARREKGDTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23ClN4O/c26-19-10-6-9-18(15-19)21-16-27-30-14-13-23(28-24(21)30)25(31)29-22-12-5-4-11-20(22)17-7-2-1-3-8-17/h4-6,9-17H,1-3,7-8H2,(H,29,31).
What are the key properties of 3-(3-chlorophenyl)-N-(2-cyclohexylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide?
3-(3-chlorophenyl)-N-(2-cyclohexylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide has a molecular weight of 430.94 g/mol, XLogP of 6.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-N-(2-cyclohexylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide is sourced from PubChem (CID 58628251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).