1-[(5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]cyclopropane-1-carboxylic acid

C13H14N4O3 — CID 65453460

IUPAC1-[(5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]cyclopropane-1-carboxylic acid
SMILESCc1cc(C)n2ncc(C(=O)NC3(C(=O)O)CC3)c2n1
InChIInChI=1S/C13H14N4O3/c1-7-5-8(2)17-10(15-7)9(6-14-17)11(18)16-13(3-4-13)12(19)20/h5-6H,3-4H2,1-2H3,(H,16,18)(H,19,20)
InChIKeyIUXIDYBIOSMASS-UHFFFAOYSA-N
MW274.28 g/mol
LogP0.69
Rot. Bonds3

About 1-[(5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]cyclopropane-1-carboxylic acid

1-[(5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]cyclopropane-1-carboxylic acid (PubChem CID 65453460) has the molecular formula C13H14N4O3 and a molecular weight of 274.28 g/mol. Its IUPAC name is 1-[(5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]cyclopropane-1-carboxylic acid
PubChem CID65453460
Molecular FormulaC13H14N4O3
Molecular Weight274.28 g/mol
Exact Mass274.11
IUPAC Name1-[(5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]cyclopropane-1-carboxylic acid
SMILESCc1cc(C)n2ncc(C(=O)NC3(C(=O)O)CC3)c2n1
InChIInChI=1S/C13H14N4O3/c1-7-5-8(2)17-10(15-7)9(6-14-17)11(18)16-13(3-4-13)12(19)20/h5-6H,3-4H2,1-2H3,(H,16,18)(H,19,20)
InChIKeyIUXIDYBIOSMASS-UHFFFAOYSA-N
XLogP0.69
TPSA96.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]oxyacetic acid
CID 63913826
3-[(5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]-2-hydroxy-2-methylpropanoic acid
CID 66171584
1-[(5-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 119132499
N-(2-methoxyethoxy)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 79676509
N-(4-anilinophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 166204350
N-[(2R)-butan-2-yl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 1097804
N-(2-amino-2-oxoethoxy)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 112550550
N-(4-hydroxy-2,2-dimethylbutyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 103825011
2-[(5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]-2-methylbutanoic acid
CID 79789809
2-azaspiro[3.4]octan-2-yl-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methanone
CID 139010063
N-(4-hydroxypentyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 107300375
5,7-dimethyl-N-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 20952848

Frequently Asked Questions

What is the IUPAC name of 1-[(5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[(5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]cyclopropane-1-carboxylic acid (CID 65453460) is 1-[(5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[(5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[(5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]cyclopropane-1-carboxylic acid is Cc1cc(C)n2ncc(C(=O)NC3(C(=O)O)CC3)c2n1.
What is the InChIKey of 1-[(5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]cyclopropane-1-carboxylic acid?
The InChIKey is IUXIDYBIOSMASS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O3/c1-7-5-8(2)17-10(15-7)9(6-14-17)11(18)16-13(3-4-13)12(19)20/h5-6H,3-4H2,1-2H3,(H,16,18)(H,19,20).
What are the key properties of 1-[(5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]cyclopropane-1-carboxylic acid?
1-[(5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]cyclopropane-1-carboxylic acid has a molecular weight of 274.28 g/mol, XLogP of 0.69, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 65453460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).