2-cyclopropyl-2-[(2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carbonyl)amino]acetic acid

C14H16N4O3 — CID 62696101

IUPAC2-cyclopropyl-2-[(2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carbonyl)amino]acetic acid
SMILESCc1cc2ncc(C(=O)NC(C(=O)O)C3CC3)c(C)n2n1
InChIInChI=1S/C14H16N4O3/c1-7-5-11-15-6-10(8(2)18(11)17-7)13(19)16-12(14(20)21)9-3-4-9/h5-6,9,12H,3-4H2,1-2H3,(H,16,19)(H,20,21)
InChIKeyCDEYDYKALZWMJD-UHFFFAOYSA-N
MW288.31 g/mol
LogP0.94
Rot. Bonds4

About 2-cyclopropyl-2-[(2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carbonyl)amino]acetic acid

2-cyclopropyl-2-[(2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carbonyl)amino]acetic acid (PubChem CID 62696101) has the molecular formula C14H16N4O3 and a molecular weight of 288.31 g/mol. Its IUPAC name is 2-cyclopropyl-2-[(2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-[(2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carbonyl)amino]acetic acid
PubChem CID62696101
Molecular FormulaC14H16N4O3
Molecular Weight288.31 g/mol
Exact Mass288.12
IUPAC Name2-cyclopropyl-2-[(2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carbonyl)amino]acetic acid
SMILESCc1cc2ncc(C(=O)NC(C(=O)O)C3CC3)c(C)n2n1
InChIInChI=1S/C14H16N4O3/c1-7-5-11-15-6-10(8(2)18(11)17-7)13(19)16-12(14(20)21)9-3-4-9/h5-6,9,12H,3-4H2,1-2H3,(H,16,19)(H,20,21)
InChIKeyCDEYDYKALZWMJD-UHFFFAOYSA-N
XLogP0.94
TPSA96.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-[(2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carbonyl)amino]acetic acid?
The IUPAC name of 2-cyclopropyl-2-[(2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carbonyl)amino]acetic acid (CID 62696101) is 2-cyclopropyl-2-[(2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-cyclopropyl-2-[(2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carbonyl)amino]acetic acid?
The canonical SMILES for 2-cyclopropyl-2-[(2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carbonyl)amino]acetic acid is Cc1cc2ncc(C(=O)NC(C(=O)O)C3CC3)c(C)n2n1.
What is the InChIKey of 2-cyclopropyl-2-[(2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carbonyl)amino]acetic acid?
The InChIKey is CDEYDYKALZWMJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O3/c1-7-5-11-15-6-10(8(2)18(11)17-7)13(19)16-12(14(20)21)9-3-4-9/h5-6,9,12H,3-4H2,1-2H3,(H,16,19)(H,20,21).
What are the key properties of 2-cyclopropyl-2-[(2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carbonyl)amino]acetic acid?
2-cyclopropyl-2-[(2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carbonyl)amino]acetic acid has a molecular weight of 288.31 g/mol, XLogP of 0.94, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-[(2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carbonyl)amino]acetic acid is sourced from PubChem (CID 62696101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).