2-[[1-[(1-methylpyrazol-3-yl)methyl]pyrazol-3-yl]methylamino]acetic acid

C11H15N5O2 — CID 122628282

IUPAC2-[[1-[(1-methylpyrazol-3-yl)methyl]pyrazol-3-yl]methylamino]acetic acid
SMILESCn1ccc(Cn2ccc(CNCC(=O)O)n2)n1
InChIInChI=1S/C11H15N5O2/c1-15-4-2-10(13-15)8-16-5-3-9(14-16)6-12-7-11(17)18/h2-5,12H,6-8H2,1H3,(H,17,18)
InChIKeyUHDLLGZRRCMVLY-UHFFFAOYSA-N
MW249.27 g/mol
LogP-0.16
Rot. Bonds6

About 2-[[1-[(1-methylpyrazol-3-yl)methyl]pyrazol-3-yl]methylamino]acetic acid

2-[[1-[(1-methylpyrazol-3-yl)methyl]pyrazol-3-yl]methylamino]acetic acid (PubChem CID 122628282) has the molecular formula C11H15N5O2 and a molecular weight of 249.27 g/mol. Its IUPAC name is 2-[[1-[(1-methylpyrazol-3-yl)methyl]pyrazol-3-yl]methylamino]acetic acid.

Molecular Properties

Compound Name2-[[1-[(1-methylpyrazol-3-yl)methyl]pyrazol-3-yl]methylamino]acetic acid
PubChem CID122628282
Molecular FormulaC11H15N5O2
Molecular Weight249.27 g/mol
Exact Mass249.12
IUPAC Name2-[[1-[(1-methylpyrazol-3-yl)methyl]pyrazol-3-yl]methylamino]acetic acid
SMILESCn1ccc(Cn2ccc(CNCC(=O)O)n2)n1
InChIInChI=1S/C11H15N5O2/c1-15-4-2-10(13-15)8-16-5-3-9(14-16)6-12-7-11(17)18/h2-5,12H,6-8H2,1H3,(H,17,18)
InChIKeyUHDLLGZRRCMVLY-UHFFFAOYSA-N
XLogP-0.16
TPSA84.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 5-0.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-[(1-methylpyrazol-3-yl)methyl]pyrazol-3-yl]methylamino]acetic acid?
The IUPAC name of 2-[[1-[(1-methylpyrazol-3-yl)methyl]pyrazol-3-yl]methylamino]acetic acid (CID 122628282) is 2-[[1-[(1-methylpyrazol-3-yl)methyl]pyrazol-3-yl]methylamino]acetic acid.
What is the SMILES notation for 2-[[1-[(1-methylpyrazol-3-yl)methyl]pyrazol-3-yl]methylamino]acetic acid?
The canonical SMILES for 2-[[1-[(1-methylpyrazol-3-yl)methyl]pyrazol-3-yl]methylamino]acetic acid is Cn1ccc(Cn2ccc(CNCC(=O)O)n2)n1.
What is the InChIKey of 2-[[1-[(1-methylpyrazol-3-yl)methyl]pyrazol-3-yl]methylamino]acetic acid?
The InChIKey is UHDLLGZRRCMVLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O2/c1-15-4-2-10(13-15)8-16-5-3-9(14-16)6-12-7-11(17)18/h2-5,12H,6-8H2,1H3,(H,17,18).
What are the key properties of 2-[[1-[(1-methylpyrazol-3-yl)methyl]pyrazol-3-yl]methylamino]acetic acid?
2-[[1-[(1-methylpyrazol-3-yl)methyl]pyrazol-3-yl]methylamino]acetic acid has a molecular weight of 249.27 g/mol, XLogP of -0.16, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-[(1-methylpyrazol-3-yl)methyl]pyrazol-3-yl]methylamino]acetic acid is sourced from PubChem (CID 122628282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).