N-(3-tert-butylpyrazolo[1,5-a]pyrimidin-2-yl)-4,4-dimethylpentanamide

C17H26N4O — CID 68754626

IUPACN-(3-tert-butylpyrazolo[1,5-a]pyrimidin-2-yl)-4,4-dimethylpentanamide
SMILESCC(C)(C)CCC(=O)Nc1nn2cccnc2c1C(C)(C)C
InChIInChI=1S/C17H26N4O/c1-16(2,3)9-8-12(22)19-14-13(17(4,5)6)15-18-10-7-11-21(15)20-14/h7,10-11H,8-9H2,1-6H3,(H,19,20,22)
InChIKeyKRHHQQCQNPOUBE-UHFFFAOYSA-N
MW302.42 g/mol
LogP3.79
Rot. Bonds3

About N-(3-tert-butylpyrazolo[1,5-a]pyrimidin-2-yl)-4,4-dimethylpentanamide

N-(3-tert-butylpyrazolo[1,5-a]pyrimidin-2-yl)-4,4-dimethylpentanamide (PubChem CID 68754626) has the molecular formula C17H26N4O and a molecular weight of 302.42 g/mol. Its IUPAC name is N-(3-tert-butylpyrazolo[1,5-a]pyrimidin-2-yl)-4,4-dimethylpentanamide.

Molecular Properties

Compound NameN-(3-tert-butylpyrazolo[1,5-a]pyrimidin-2-yl)-4,4-dimethylpentanamide
PubChem CID68754626
Molecular FormulaC17H26N4O
Molecular Weight302.42 g/mol
Exact Mass302.21
IUPAC NameN-(3-tert-butylpyrazolo[1,5-a]pyrimidin-2-yl)-4,4-dimethylpentanamide
SMILESCC(C)(C)CCC(=O)Nc1nn2cccnc2c1C(C)(C)C
InChIInChI=1S/C17H26N4O/c1-16(2,3)9-8-12(22)19-14-13(17(4,5)6)15-18-10-7-11-21(15)20-14/h7,10-11H,8-9H2,1-6H3,(H,19,20,22)
InChIKeyKRHHQQCQNPOUBE-UHFFFAOYSA-N
XLogP3.79
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-tert-butylpyrazolo[1,5-a]pyrimidin-2-yl)-4,4-dimethylpentanamide?
The IUPAC name of N-(3-tert-butylpyrazolo[1,5-a]pyrimidin-2-yl)-4,4-dimethylpentanamide (CID 68754626) is N-(3-tert-butylpyrazolo[1,5-a]pyrimidin-2-yl)-4,4-dimethylpentanamide.
What is the SMILES notation for N-(3-tert-butylpyrazolo[1,5-a]pyrimidin-2-yl)-4,4-dimethylpentanamide?
The canonical SMILES for N-(3-tert-butylpyrazolo[1,5-a]pyrimidin-2-yl)-4,4-dimethylpentanamide is CC(C)(C)CCC(=O)Nc1nn2cccnc2c1C(C)(C)C.
What is the InChIKey of N-(3-tert-butylpyrazolo[1,5-a]pyrimidin-2-yl)-4,4-dimethylpentanamide?
The InChIKey is KRHHQQCQNPOUBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O/c1-16(2,3)9-8-12(22)19-14-13(17(4,5)6)15-18-10-7-11-21(15)20-14/h7,10-11H,8-9H2,1-6H3,(H,19,20,22).
What are the key properties of N-(3-tert-butylpyrazolo[1,5-a]pyrimidin-2-yl)-4,4-dimethylpentanamide?
N-(3-tert-butylpyrazolo[1,5-a]pyrimidin-2-yl)-4,4-dimethylpentanamide has a molecular weight of 302.42 g/mol, XLogP of 3.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-tert-butylpyrazolo[1,5-a]pyrimidin-2-yl)-4,4-dimethylpentanamide is sourced from PubChem (CID 68754626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).