2-[5-amino-4-cyano-3-(oxan-4-ylamino)pyrazol-1-yl]acetic acid

C11H15N5O3 — CID 102796631

IUPAC2-[5-amino-4-cyano-3-(oxan-4-ylamino)pyrazol-1-yl]acetic acid
SMILESN#Cc1c(NC2CCOCC2)nn(CC(=O)O)c1N
InChIInChI=1S/C11H15N5O3/c12-5-8-10(13)16(6-9(17)18)15-11(8)14-7-1-3-19-4-2-7/h7H,1-4,6,13H2,(H,14,15)(H,17,18)
InChIKeyDEKGSWZNLSWRQB-UHFFFAOYSA-N
MW265.27 g/mol
LogP0.01
Rot. Bonds4

About 2-[5-amino-4-cyano-3-(oxan-4-ylamino)pyrazol-1-yl]acetic acid

2-[5-amino-4-cyano-3-(oxan-4-ylamino)pyrazol-1-yl]acetic acid (PubChem CID 102796631) has the molecular formula C11H15N5O3 and a molecular weight of 265.27 g/mol. Its IUPAC name is 2-[5-amino-4-cyano-3-(oxan-4-ylamino)pyrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[5-amino-4-cyano-3-(oxan-4-ylamino)pyrazol-1-yl]acetic acid
PubChem CID102796631
Molecular FormulaC11H15N5O3
Molecular Weight265.27 g/mol
Exact Mass265.12
IUPAC Name2-[5-amino-4-cyano-3-(oxan-4-ylamino)pyrazol-1-yl]acetic acid
SMILESN#Cc1c(NC2CCOCC2)nn(CC(=O)O)c1N
InChIInChI=1S/C11H15N5O3/c12-5-8-10(13)16(6-9(17)18)15-11(8)14-7-1-3-19-4-2-7/h7H,1-4,6,13H2,(H,14,15)(H,17,18)
InChIKeyDEKGSWZNLSWRQB-UHFFFAOYSA-N
XLogP0.01
TPSA126.19 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 50.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[5-amino-4-cyano-3-(oxan-4-ylamino)pyrazol-1-yl]acetic acid?
The IUPAC name of 2-[5-amino-4-cyano-3-(oxan-4-ylamino)pyrazol-1-yl]acetic acid (CID 102796631) is 2-[5-amino-4-cyano-3-(oxan-4-ylamino)pyrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[5-amino-4-cyano-3-(oxan-4-ylamino)pyrazol-1-yl]acetic acid?
The canonical SMILES for 2-[5-amino-4-cyano-3-(oxan-4-ylamino)pyrazol-1-yl]acetic acid is N#Cc1c(NC2CCOCC2)nn(CC(=O)O)c1N.
What is the InChIKey of 2-[5-amino-4-cyano-3-(oxan-4-ylamino)pyrazol-1-yl]acetic acid?
The InChIKey is DEKGSWZNLSWRQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O3/c12-5-8-10(13)16(6-9(17)18)15-11(8)14-7-1-3-19-4-2-7/h7H,1-4,6,13H2,(H,14,15)(H,17,18).
What are the key properties of 2-[5-amino-4-cyano-3-(oxan-4-ylamino)pyrazol-1-yl]acetic acid?
2-[5-amino-4-cyano-3-(oxan-4-ylamino)pyrazol-1-yl]acetic acid has a molecular weight of 265.27 g/mol, XLogP of 0.01, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-amino-4-cyano-3-(oxan-4-ylamino)pyrazol-1-yl]acetic acid is sourced from PubChem (CID 102796631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).