2-[cyclopropyl-(5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]acetic acid

C14H16N4O3 — CID 60826894

IUPAC2-[cyclopropyl-(5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]acetic acid
SMILESCc1cc(C)n2ncc(C(=O)N(CC(=O)O)C3CC3)c2n1
InChIInChI=1S/C14H16N4O3/c1-8-5-9(2)18-13(16-8)11(6-15-18)14(21)17(7-12(19)20)10-3-4-10/h5-6,10H,3-4,7H2,1-2H3,(H,19,20)
InChIKeyGZROYTKDBIBHTQ-UHFFFAOYSA-N
MW288.31 g/mol
LogP1.04
Rot. Bonds4

About 2-[cyclopropyl-(5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]acetic acid

2-[cyclopropyl-(5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]acetic acid (PubChem CID 60826894) has the molecular formula C14H16N4O3 and a molecular weight of 288.31 g/mol. Its IUPAC name is 2-[cyclopropyl-(5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropyl-(5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]acetic acid
PubChem CID60826894
Molecular FormulaC14H16N4O3
Molecular Weight288.31 g/mol
Exact Mass288.12
IUPAC Name2-[cyclopropyl-(5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]acetic acid
SMILESCc1cc(C)n2ncc(C(=O)N(CC(=O)O)C3CC3)c2n1
InChIInChI=1S/C14H16N4O3/c1-8-5-9(2)18-13(16-8)11(6-15-18)14(21)17(7-12(19)20)10-3-4-10/h5-6,10H,3-4,7H2,1-2H3,(H,19,20)
InChIKeyGZROYTKDBIBHTQ-UHFFFAOYSA-N
XLogP1.04
TPSA87.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-N-cyclopropyl-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 31844923
2-[cyclopropyl-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]acetic acid
CID 120517676
3-[(5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)-ethylamino]propanoic acid
CID 61007292
N-(2-aminoethyl)-N,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 55103751
2-[(5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]oxyacetic acid
CID 63913826
cyclohexanecarboxylic acid;5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 145182096
N-[2-(diethylamino)ethyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19440824
2-[cyclopropyl-(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]acetic acid
CID 120517663
2-[(2-chloro-6-methylpyrimidine-4-carbonyl)-cyclopropylamino]acetic acid
CID 114219365
(3,5-dimethylpiperidin-1-yl)-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methanone
CID 42952771
3-[(5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]-2-hydroxy-2-methylpropanoic acid
CID 66171584
1-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-3-phenylpropan-1-one
CID 158965496

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-(5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]acetic acid?
The IUPAC name of 2-[cyclopropyl-(5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]acetic acid (CID 60826894) is 2-[cyclopropyl-(5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[cyclopropyl-(5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[cyclopropyl-(5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]acetic acid is Cc1cc(C)n2ncc(C(=O)N(CC(=O)O)C3CC3)c2n1.
What is the InChIKey of 2-[cyclopropyl-(5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]acetic acid?
The InChIKey is GZROYTKDBIBHTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O3/c1-8-5-9(2)18-13(16-8)11(6-15-18)14(21)17(7-12(19)20)10-3-4-10/h5-6,10H,3-4,7H2,1-2H3,(H,19,20).
What are the key properties of 2-[cyclopropyl-(5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]acetic acid?
2-[cyclopropyl-(5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]acetic acid has a molecular weight of 288.31 g/mol, XLogP of 1.04, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-(5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]acetic acid is sourced from PubChem (CID 60826894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).