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

C22H19ClN4O — CID 58628888

IUPAC3-(3-chlorophenyl)-N-(2-propan-2-ylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide
SMILESCC(C)c1ccccc1NC(=O)c1ccn2ncc(-c3cccc(Cl)c3)c2n1
InChIInChI=1S/C22H19ClN4O/c1-14(2)17-8-3-4-9-19(17)26-22(28)20-10-11-27-21(25-20)18(13-24-27)15-6-5-7-16(23)12-15/h3-14H,1-2H3,(H,26,28)
InChIKeyNNMPZNBEEUURSC-UHFFFAOYSA-N
MW390.87 g/mol
LogP5.43
Rot. Bonds4

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

3-(3-chlorophenyl)-N-(2-propan-2-ylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide (PubChem CID 58628888) has the molecular formula C22H19ClN4O and a molecular weight of 390.87 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-N-(2-propan-2-ylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name3-(3-chlorophenyl)-N-(2-propan-2-ylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide
PubChem CID58628888
Molecular FormulaC22H19ClN4O
Molecular Weight390.87 g/mol
Exact Mass390.12
IUPAC Name3-(3-chlorophenyl)-N-(2-propan-2-ylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide
SMILESCC(C)c1ccccc1NC(=O)c1ccn2ncc(-c3cccc(Cl)c3)c2n1
InChIInChI=1S/C22H19ClN4O/c1-14(2)17-8-3-4-9-19(17)26-22(28)20-10-11-27-21(25-20)18(13-24-27)15-6-5-7-16(23)12-15/h3-14H,1-2H3,(H,26,28)
InChIKeyNNMPZNBEEUURSC-UHFFFAOYSA-N
XLogP5.43
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.87
LogP ≤ 55.43
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-propan-2-ylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide?
The IUPAC name of 3-(3-chlorophenyl)-N-(2-propan-2-ylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide (CID 58628888) is 3-(3-chlorophenyl)-N-(2-propan-2-ylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide.
What is the SMILES notation for 3-(3-chlorophenyl)-N-(2-propan-2-ylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide?
The canonical SMILES for 3-(3-chlorophenyl)-N-(2-propan-2-ylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide is CC(C)c1ccccc1NC(=O)c1ccn2ncc(-c3cccc(Cl)c3)c2n1.
What is the InChIKey of 3-(3-chlorophenyl)-N-(2-propan-2-ylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide?
The InChIKey is NNMPZNBEEUURSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN4O/c1-14(2)17-8-3-4-9-19(17)26-22(28)20-10-11-27-21(25-20)18(13-24-27)15-6-5-7-16(23)12-15/h3-14H,1-2H3,(H,26,28).
What are the key properties of 3-(3-chlorophenyl)-N-(2-propan-2-ylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide?
3-(3-chlorophenyl)-N-(2-propan-2-ylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide has a molecular weight of 390.87 g/mol, XLogP of 5.43, 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-propan-2-ylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide is sourced from PubChem (CID 58628888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).