2-cyclopropyl-2-[(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]acetic acid

C14H18N4O2 — CID 104729492

IUPAC2-cyclopropyl-2-[(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]acetic acid
SMILESCC(C)c1cc2c(NC(C(=O)O)C3CC3)nccn2n1
InChIInChI=1S/C14H18N4O2/c1-8(2)10-7-11-13(15-5-6-18(11)17-10)16-12(14(19)20)9-3-4-9/h5-9,12H,3-4H2,1-2H3,(H,15,16)(H,19,20)
InChIKeyOSEACFOHNOKQTJ-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.13
Rot. Bonds5

About 2-cyclopropyl-2-[(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]acetic acid

2-cyclopropyl-2-[(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]acetic acid (PubChem CID 104729492) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 2-cyclopropyl-2-[(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]acetic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-[(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]acetic acid
PubChem CID104729492
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name2-cyclopropyl-2-[(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]acetic acid
SMILESCC(C)c1cc2c(NC(C(=O)O)C3CC3)nccn2n1
InChIInChI=1S/C14H18N4O2/c1-8(2)10-7-11-13(15-5-6-18(11)17-10)16-12(14(19)20)9-3-4-9/h5-9,12H,3-4H2,1-2H3,(H,15,16)(H,19,20)
InChIKeyOSEACFOHNOKQTJ-UHFFFAOYSA-N
XLogP2.13
TPSA79.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.13
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-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]acetic acid?
The IUPAC name of 2-cyclopropyl-2-[(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]acetic acid (CID 104729492) is 2-cyclopropyl-2-[(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]acetic acid.
What is the SMILES notation for 2-cyclopropyl-2-[(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]acetic acid?
The canonical SMILES for 2-cyclopropyl-2-[(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]acetic acid is CC(C)c1cc2c(NC(C(=O)O)C3CC3)nccn2n1.
What is the InChIKey of 2-cyclopropyl-2-[(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]acetic acid?
The InChIKey is OSEACFOHNOKQTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-8(2)10-7-11-13(15-5-6-18(11)17-10)16-12(14(19)20)9-3-4-9/h5-9,12H,3-4H2,1-2H3,(H,15,16)(H,19,20).
What are the key properties of 2-cyclopropyl-2-[(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]acetic acid?
2-cyclopropyl-2-[(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]acetic acid has a molecular weight of 274.32 g/mol, XLogP of 2.13, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-[(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]acetic acid is sourced from PubChem (CID 104729492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).