N-[(2R)-butan-2-yl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide

C13H18N4O — CID 1097804

IUPACN-[(2R)-butan-2-yl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCC[C@@H](C)NC(=O)c1cnn2c(C)cc(C)nc12
InChIInChI=1S/C13H18N4O/c1-5-8(2)16-13(18)11-7-14-17-10(4)6-9(3)15-12(11)17/h6-8H,5H2,1-4H3,(H,16,18)/t8-/m1/s1
InChIKeyXGAIHVVNCLYSFC-MRVPVSSYSA-N
MW246.31 g/mol
LogP1.87
Rot. Bonds3

About N-[(2R)-butan-2-yl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[(2R)-butan-2-yl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 1097804) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is N-[(2R)-butan-2-yl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[(2R)-butan-2-yl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID1097804
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC NameN-[(2R)-butan-2-yl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCC[C@@H](C)NC(=O)c1cnn2c(C)cc(C)nc12
InChIInChI=1S/C13H18N4O/c1-5-8(2)16-13(18)11-7-14-17-10(4)6-9(3)15-12(11)17/h6-8H,5H2,1-4H3,(H,16,18)/t8-/m1/s1
InChIKeyXGAIHVVNCLYSFC-MRVPVSSYSA-N
XLogP1.87
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 ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5,7-dimethyl-N-(1-pyrazol-1-ylpropan-2-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 110226468
ethyl 2-[(5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]propanoate
CID 47494468
2-[(5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]-4-hydroxybutanoic acid
CID 61243482
2-[(5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]-2-methylbutanoic acid
CID 79789809
N-[2-hydroxy-1-(4-methylphenyl)ethyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 171674046
N-(4-hydroxypentyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 107300375
N-[1-(3,4-difluorophenyl)ethyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 46535131
N-(2-methoxyethoxy)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 79676509
2-[(5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]oxyacetic acid
CID 63913826
N-(2-amino-2-oxoethoxy)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 112550550
N-[2-(diethylamino)ethyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19440824
N-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 98331279

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-butan-2-yl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[(2R)-butan-2-yl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 1097804) is N-[(2R)-butan-2-yl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[(2R)-butan-2-yl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[(2R)-butan-2-yl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide is CC[C@@H](C)NC(=O)c1cnn2c(C)cc(C)nc12.
What is the InChIKey of N-[(2R)-butan-2-yl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is XGAIHVVNCLYSFC-MRVPVSSYSA-N. The full InChI is InChI=1S/C13H18N4O/c1-5-8(2)16-13(18)11-7-14-17-10(4)6-9(3)15-12(11)17/h6-8H,5H2,1-4H3,(H,16,18)/t8-/m1/s1.
What are the key properties of N-[(2R)-butan-2-yl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[(2R)-butan-2-yl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 246.31 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-butan-2-yl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 1097804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).