N-(4-hydroxy-2,2-dimethylbutyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide

C15H22N4O2 — CID 103825011

IUPACN-(4-hydroxy-2,2-dimethylbutyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1cc(C)n2ncc(C(=O)NCC(C)(C)CCO)c2n1
InChIInChI=1S/C15H22N4O2/c1-10-7-11(2)19-13(18-10)12(8-17-19)14(21)16-9-15(3,4)5-6-20/h7-8,20H,5-6,9H2,1-4H3,(H,16,21)
InChIKeySPTQXQODRJBIHS-UHFFFAOYSA-N
MW290.37 g/mol
LogP1.48
Rot. Bonds5

About N-(4-hydroxy-2,2-dimethylbutyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide

N-(4-hydroxy-2,2-dimethylbutyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 103825011) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is N-(4-hydroxy-2,2-dimethylbutyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-(4-hydroxy-2,2-dimethylbutyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID103825011
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC NameN-(4-hydroxy-2,2-dimethylbutyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1cc(C)n2ncc(C(=O)NCC(C)(C)CCO)c2n1
InChIInChI=1S/C15H22N4O2/c1-10-7-11(2)19-13(18-10)12(8-17-19)14(21)16-9-15(3,4)5-6-20/h7-8,20H,5-6,9H2,1-4H3,(H,16,21)
InChIKeySPTQXQODRJBIHS-UHFFFAOYSA-N
XLogP1.48
TPSA79.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-2,2-dimethylbutyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-(4-hydroxy-2,2-dimethylbutyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 103825011) is N-(4-hydroxy-2,2-dimethylbutyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-(4-hydroxy-2,2-dimethylbutyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-(4-hydroxy-2,2-dimethylbutyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1cc(C)n2ncc(C(=O)NCC(C)(C)CCO)c2n1.
What is the InChIKey of N-(4-hydroxy-2,2-dimethylbutyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is SPTQXQODRJBIHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2/c1-10-7-11(2)19-13(18-10)12(8-17-19)14(21)16-9-15(3,4)5-6-20/h7-8,20H,5-6,9H2,1-4H3,(H,16,21).
What are the key properties of N-(4-hydroxy-2,2-dimethylbutyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-(4-hydroxy-2,2-dimethylbutyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 290.37 g/mol, XLogP of 1.48, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-2,2-dimethylbutyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 103825011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).