2-[(1-methylpyrazol-3-yl)methyl-(1H-pyrazol-5-ylmethyl)amino]acetic acid

C11H15N5O2 — CID 140748038

IUPAC2-[(1-methylpyrazol-3-yl)methyl-(1H-pyrazol-5-ylmethyl)amino]acetic acid
SMILESCn1ccc(CN(CC(=O)O)Cc2ccn[nH]2)n1
InChIInChI=1S/C11H15N5O2/c1-15-5-3-10(14-15)7-16(8-11(17)18)6-9-2-4-12-13-9/h2-5H,6-8H2,1H3,(H,12,13)(H,17,18)
InChIKeyKUCAMXSBLSYYTN-UHFFFAOYSA-N
MW249.27 g/mol
LogP0.23
Rot. Bonds6

About 2-[(1-methylpyrazol-3-yl)methyl-(1H-pyrazol-5-ylmethyl)amino]acetic acid

2-[(1-methylpyrazol-3-yl)methyl-(1H-pyrazol-5-ylmethyl)amino]acetic acid (PubChem CID 140748038) has the molecular formula C11H15N5O2 and a molecular weight of 249.27 g/mol. Its IUPAC name is 2-[(1-methylpyrazol-3-yl)methyl-(1H-pyrazol-5-ylmethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(1-methylpyrazol-3-yl)methyl-(1H-pyrazol-5-ylmethyl)amino]acetic acid
PubChem CID140748038
Molecular FormulaC11H15N5O2
Molecular Weight249.27 g/mol
Exact Mass249.12
IUPAC Name2-[(1-methylpyrazol-3-yl)methyl-(1H-pyrazol-5-ylmethyl)amino]acetic acid
SMILESCn1ccc(CN(CC(=O)O)Cc2ccn[nH]2)n1
InChIInChI=1S/C11H15N5O2/c1-15-5-3-10(14-15)7-16(8-11(17)18)6-9-2-4-12-13-9/h2-5H,6-8H2,1H3,(H,12,13)(H,17,18)
InChIKeyKUCAMXSBLSYYTN-UHFFFAOYSA-N
XLogP0.23
TPSA87.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(1-methylpyrazol-3-yl)methyl-(1H-pyrazol-5-ylmethyl)amino]acetic acid?
The IUPAC name of 2-[(1-methylpyrazol-3-yl)methyl-(1H-pyrazol-5-ylmethyl)amino]acetic acid (CID 140748038) is 2-[(1-methylpyrazol-3-yl)methyl-(1H-pyrazol-5-ylmethyl)amino]acetic acid.
What is the SMILES notation for 2-[(1-methylpyrazol-3-yl)methyl-(1H-pyrazol-5-ylmethyl)amino]acetic acid?
The canonical SMILES for 2-[(1-methylpyrazol-3-yl)methyl-(1H-pyrazol-5-ylmethyl)amino]acetic acid is Cn1ccc(CN(CC(=O)O)Cc2ccn[nH]2)n1.
What is the InChIKey of 2-[(1-methylpyrazol-3-yl)methyl-(1H-pyrazol-5-ylmethyl)amino]acetic acid?
The InChIKey is KUCAMXSBLSYYTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O2/c1-15-5-3-10(14-15)7-16(8-11(17)18)6-9-2-4-12-13-9/h2-5H,6-8H2,1H3,(H,12,13)(H,17,18).
What are the key properties of 2-[(1-methylpyrazol-3-yl)methyl-(1H-pyrazol-5-ylmethyl)amino]acetic acid?
2-[(1-methylpyrazol-3-yl)methyl-(1H-pyrazol-5-ylmethyl)amino]acetic acid has a molecular weight of 249.27 g/mol, XLogP of 0.23, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methylpyrazol-3-yl)methyl-(1H-pyrazol-5-ylmethyl)amino]acetic acid is sourced from PubChem (CID 140748038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).