5,7-dimethyl-N-(2-methylpropyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C13H18N4O — CID 19440633

IUPAC5,7-dimethyl-N-(2-methylpropyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1cc(C)n2ncc(C(=O)NCC(C)C)c2n1
InChIInChI=1S/C13H18N4O/c1-8(2)6-14-13(18)11-7-15-17-10(4)5-9(3)16-12(11)17/h5,7-8H,6H2,1-4H3,(H,14,18)
InChIKeyNICJTSHRYBTHAS-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.73
Rot. Bonds3

About 5,7-dimethyl-N-(2-methylpropyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

5,7-dimethyl-N-(2-methylpropyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 19440633) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is 5,7-dimethyl-N-(2-methylpropyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name5,7-dimethyl-N-(2-methylpropyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID19440633
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC Name5,7-dimethyl-N-(2-methylpropyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1cc(C)n2ncc(C(=O)NCC(C)C)c2n1
InChIInChI=1S/C13H18N4O/c1-8(2)6-14-13(18)11-7-15-17-10(4)5-9(3)16-12(11)17/h5,7-8H,6H2,1-4H3,(H,14,18)
InChIKeyNICJTSHRYBTHAS-UHFFFAOYSA-N
XLogP1.73
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyl-N-(2-methylpropyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 5,7-dimethyl-N-(2-methylpropyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 19440633) is 5,7-dimethyl-N-(2-methylpropyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 5,7-dimethyl-N-(2-methylpropyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 5,7-dimethyl-N-(2-methylpropyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1cc(C)n2ncc(C(=O)NCC(C)C)c2n1.
What is the InChIKey of 5,7-dimethyl-N-(2-methylpropyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is NICJTSHRYBTHAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c1-8(2)6-14-13(18)11-7-15-17-10(4)5-9(3)16-12(11)17/h5,7-8H,6H2,1-4H3,(H,14,18).
What are the key properties of 5,7-dimethyl-N-(2-methylpropyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
5,7-dimethyl-N-(2-methylpropyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 246.31 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethyl-N-(2-methylpropyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 19440633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).