2-[[(3-carbamoylpyrazolo[1,5-a]pyrimidine-7-carbonyl)amino]methyl]-2-ethylbutanoic acid

C15H19N5O4 — CID 122126239

IUPAC2-[[(3-carbamoylpyrazolo[1,5-a]pyrimidine-7-carbonyl)amino]methyl]-2-ethylbutanoic acid
SMILESCCC(CC)(CNC(=O)c1ccnc2c(C(N)=O)cnn12)C(=O)O
InChIInChI=1S/C15H19N5O4/c1-3-15(4-2,14(23)24)8-18-13(22)10-5-6-17-12-9(11(16)21)7-19-20(10)12/h5-7H,3-4,8H2,1-2H3,(H2,16,21)(H,18,22)(H,23,24)
InChIKeyVOVARUUSZHFXBQ-UHFFFAOYSA-N
MW333.35 g/mol
LogP0.45
Rot. Bonds7

About 2-[[(3-carbamoylpyrazolo[1,5-a]pyrimidine-7-carbonyl)amino]methyl]-2-ethylbutanoic acid

2-[[(3-carbamoylpyrazolo[1,5-a]pyrimidine-7-carbonyl)amino]methyl]-2-ethylbutanoic acid (PubChem CID 122126239) has the molecular formula C15H19N5O4 and a molecular weight of 333.35 g/mol. Its IUPAC name is 2-[[(3-carbamoylpyrazolo[1,5-a]pyrimidine-7-carbonyl)amino]methyl]-2-ethylbutanoic acid.

Molecular Properties

Compound Name2-[[(3-carbamoylpyrazolo[1,5-a]pyrimidine-7-carbonyl)amino]methyl]-2-ethylbutanoic acid
PubChem CID122126239
Molecular FormulaC15H19N5O4
Molecular Weight333.35 g/mol
Exact Mass333.14
IUPAC Name2-[[(3-carbamoylpyrazolo[1,5-a]pyrimidine-7-carbonyl)amino]methyl]-2-ethylbutanoic acid
SMILESCCC(CC)(CNC(=O)c1ccnc2c(C(N)=O)cnn12)C(=O)O
InChIInChI=1S/C15H19N5O4/c1-3-15(4-2,14(23)24)8-18-13(22)10-5-6-17-12-9(11(16)21)7-19-20(10)12/h5-7H,3-4,8H2,1-2H3,(H2,16,21)(H,18,22)(H,23,24)
InChIKeyVOVARUUSZHFXBQ-UHFFFAOYSA-N
XLogP0.45
TPSA139.68 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.35
LogP ≤ 50.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[(3-carbamoylpyrazolo[1,5-a]pyrimidine-7-carbonyl)amino]methyl]-2-ethylbutanoic acid?
The IUPAC name of 2-[[(3-carbamoylpyrazolo[1,5-a]pyrimidine-7-carbonyl)amino]methyl]-2-ethylbutanoic acid (CID 122126239) is 2-[[(3-carbamoylpyrazolo[1,5-a]pyrimidine-7-carbonyl)amino]methyl]-2-ethylbutanoic acid.
What is the SMILES notation for 2-[[(3-carbamoylpyrazolo[1,5-a]pyrimidine-7-carbonyl)amino]methyl]-2-ethylbutanoic acid?
The canonical SMILES for 2-[[(3-carbamoylpyrazolo[1,5-a]pyrimidine-7-carbonyl)amino]methyl]-2-ethylbutanoic acid is CCC(CC)(CNC(=O)c1ccnc2c(C(N)=O)cnn12)C(=O)O.
What is the InChIKey of 2-[[(3-carbamoylpyrazolo[1,5-a]pyrimidine-7-carbonyl)amino]methyl]-2-ethylbutanoic acid?
The InChIKey is VOVARUUSZHFXBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O4/c1-3-15(4-2,14(23)24)8-18-13(22)10-5-6-17-12-9(11(16)21)7-19-20(10)12/h5-7H,3-4,8H2,1-2H3,(H2,16,21)(H,18,22)(H,23,24).
What are the key properties of 2-[[(3-carbamoylpyrazolo[1,5-a]pyrimidine-7-carbonyl)amino]methyl]-2-ethylbutanoic acid?
2-[[(3-carbamoylpyrazolo[1,5-a]pyrimidine-7-carbonyl)amino]methyl]-2-ethylbutanoic acid has a molecular weight of 333.35 g/mol, XLogP of 0.45, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3-carbamoylpyrazolo[1,5-a]pyrimidine-7-carbonyl)amino]methyl]-2-ethylbutanoic acid is sourced from PubChem (CID 122126239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).