N-butan-2-yl-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxamide

C13H18N4O — CID 60714205

IUPACN-butan-2-yl-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCCC(C)NC(=O)c1cnc2cc(C)nn2c1C
InChIInChI=1S/C13H18N4O/c1-5-8(2)15-13(18)11-7-14-12-6-9(3)16-17(12)10(11)4/h6-8H,5H2,1-4H3,(H,15,18)
InChIKeyZYRBVVAJFGHTCN-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.87
Rot. Bonds3

About N-butan-2-yl-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxamide

N-butan-2-yl-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 60714205) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is N-butan-2-yl-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxamide
PubChem CID60714205
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC NameN-butan-2-yl-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCCC(C)NC(=O)c1cnc2cc(C)nn2c1C
InChIInChI=1S/C13H18N4O/c1-5-8(2)15-13(18)11-7-14-12-6-9(3)16-17(12)10(11)4/h6-8H,5H2,1-4H3,(H,15,18)
InChIKeyZYRBVVAJFGHTCN-UHFFFAOYSA-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

2,7-dimethyl-N-propan-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 60714222
N-[(2S)-butan-2-yl]-7-methyl-2-phenylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 811834
2,7-dimethyl-N-[2-(2-methylpropanoylamino)ethyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 24666481
2-cyclopropyl-2-[(2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carbonyl)amino]acetic acid
CID 62696101
N-[(1R)-1-(3-fluoro-2-pyridinyl)ethyl]-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 125421805
N-[1-(hydroxymethyl)cyclopropyl]-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 115877516
2-[2-[(2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carbonyl)amino]ethylsulfanyl]acetic acid
CID 119241897
2-tert-butyl-7-methyl-N-(3-methylbutan-2-yl)pyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 5097942
N-[1-(hydroxymethyl)cyclobutyl]-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 115877997
N-butan-2-yl-7-ethyl-2-phenylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 42752722
N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 43072626
2,7-dimethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 61003398

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxamide?
The IUPAC name of N-butan-2-yl-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxamide (CID 60714205) is N-butan-2-yl-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-butan-2-yl-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-butan-2-yl-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxamide is CCC(C)NC(=O)c1cnc2cc(C)nn2c1C.
What is the InChIKey of N-butan-2-yl-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxamide?
The InChIKey is ZYRBVVAJFGHTCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c1-5-8(2)15-13(18)11-7-14-12-6-9(3)16-17(12)10(11)4/h6-8H,5H2,1-4H3,(H,15,18).
What are the key properties of N-butan-2-yl-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxamide?
N-butan-2-yl-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-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-butan-2-yl-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 60714205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).