N-(2-methoxy-5-methylphenyl)-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide

C18H20N4O2 — CID 53040867

IUPACN-(2-methoxy-5-methylphenyl)-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide
SMILESCOc1ccc(C)cc1NC(=O)c1cc(C(C)C)n2nccc2n1
InChIInChI=1S/C18H20N4O2/c1-11(2)15-10-14(20-17-7-8-19-22(15)17)18(23)21-13-9-12(3)5-6-16(13)24-4/h5-11H,1-4H3,(H,21,23)
InChIKeyNZYVGVUIBQBRBA-UHFFFAOYSA-N
MW324.38 g/mol
LogP3.42
Rot. Bonds4

About N-(2-methoxy-5-methylphenyl)-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide

N-(2-methoxy-5-methylphenyl)-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide (PubChem CID 53040867) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is N-(2-methoxy-5-methylphenyl)-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(2-methoxy-5-methylphenyl)-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide
PubChem CID53040867
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC NameN-(2-methoxy-5-methylphenyl)-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide
SMILESCOc1ccc(C)cc1NC(=O)c1cc(C(C)C)n2nccc2n1
InChIInChI=1S/C18H20N4O2/c1-11(2)15-10-14(20-17-7-8-19-22(15)17)18(23)21-13-9-12(3)5-6-16(13)24-4/h5-11H,1-4H3,(H,21,23)
InChIKeyNZYVGVUIBQBRBA-UHFFFAOYSA-N
XLogP3.42
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-methylphenyl)-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide?
The IUPAC name of N-(2-methoxy-5-methylphenyl)-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide (CID 53040867) is N-(2-methoxy-5-methylphenyl)-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide.
What is the SMILES notation for N-(2-methoxy-5-methylphenyl)-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide?
The canonical SMILES for N-(2-methoxy-5-methylphenyl)-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide is COc1ccc(C)cc1NC(=O)c1cc(C(C)C)n2nccc2n1.
What is the InChIKey of N-(2-methoxy-5-methylphenyl)-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide?
The InChIKey is NZYVGVUIBQBRBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2/c1-11(2)15-10-14(20-17-7-8-19-22(15)17)18(23)21-13-9-12(3)5-6-16(13)24-4/h5-11H,1-4H3,(H,21,23).
What are the key properties of N-(2-methoxy-5-methylphenyl)-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide?
N-(2-methoxy-5-methylphenyl)-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide has a molecular weight of 324.38 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-5-methylphenyl)-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide is sourced from PubChem (CID 53040867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).