3-[(5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)-ethylamino]propanoic acid

C14H18N4O3 — CID 61007292

IUPAC3-[(5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)-ethylamino]propanoic acid
SMILESCCN(CCC(=O)O)C(=O)c1cnn2c(C)cc(C)nc12
InChIInChI=1S/C14H18N4O3/c1-4-17(6-5-12(19)20)14(21)11-8-15-18-10(3)7-9(2)16-13(11)18/h7-8H,4-6H2,1-3H3,(H,19,20)
InChIKeyHKFJNKHARKRPGP-UHFFFAOYSA-N
MW290.32 g/mol
LogP1.28
Rot. Bonds5

About 3-[(5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)-ethylamino]propanoic acid

3-[(5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)-ethylamino]propanoic acid (PubChem CID 61007292) has the molecular formula C14H18N4O3 and a molecular weight of 290.32 g/mol. Its IUPAC name is 3-[(5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)-ethylamino]propanoic acid.

Molecular Properties

Compound Name3-[(5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)-ethylamino]propanoic acid
PubChem CID61007292
Molecular FormulaC14H18N4O3
Molecular Weight290.32 g/mol
Exact Mass290.14
IUPAC Name3-[(5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)-ethylamino]propanoic acid
SMILESCCN(CCC(=O)O)C(=O)c1cnn2c(C)cc(C)nc12
InChIInChI=1S/C14H18N4O3/c1-4-17(6-5-12(19)20)14(21)11-8-15-18-10(3)7-9(2)16-13(11)18/h7-8H,4-6H2,1-3H3,(H,19,20)
InChIKeyHKFJNKHARKRPGP-UHFFFAOYSA-N
XLogP1.28
TPSA87.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(diethylamino)ethyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19440824
3-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)-ethylamino]propanoic acid
CID 61007778
2-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-N,N-diethylacetamide
CID 141189662
N-(2-aminoethyl)-N,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 55103751
2-[cyclopropyl-(5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]acetic acid
CID 60826894
2-[(5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]oxyacetic acid
CID 63913826
N-[(2R)-butan-2-yl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 1097804
3-[(5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]-2-hydroxy-2-methylpropanoic acid
CID 66171584
2-[(5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]-2-methylbutanoic acid
CID 79789809
3-[ethyl-(5-methyl-1-phenylpyrazole-4-carbonyl)amino]propanoic acid
CID 119191202
1-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-3-phenylpropan-1-one
CID 158965496
N-[(2,5-dimethylpyrazol-3-yl)methyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 74239036

Frequently Asked Questions

What is the IUPAC name of 3-[(5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)-ethylamino]propanoic acid?
The IUPAC name of 3-[(5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)-ethylamino]propanoic acid (CID 61007292) is 3-[(5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)-ethylamino]propanoic acid.
What is the SMILES notation for 3-[(5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)-ethylamino]propanoic acid?
The canonical SMILES for 3-[(5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)-ethylamino]propanoic acid is CCN(CCC(=O)O)C(=O)c1cnn2c(C)cc(C)nc12.
What is the InChIKey of 3-[(5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)-ethylamino]propanoic acid?
The InChIKey is HKFJNKHARKRPGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O3/c1-4-17(6-5-12(19)20)14(21)11-8-15-18-10(3)7-9(2)16-13(11)18/h7-8H,4-6H2,1-3H3,(H,19,20).
What are the key properties of 3-[(5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)-ethylamino]propanoic acid?
3-[(5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)-ethylamino]propanoic acid has a molecular weight of 290.32 g/mol, XLogP of 1.28, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)-ethylamino]propanoic acid is sourced from PubChem (CID 61007292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).