2-[bis[(1-methylpyrazol-3-yl)methyl]amino]acetic acid

C12H17N5O2 — CID 140802631

IUPAC2-[bis[(1-methylpyrazol-3-yl)methyl]amino]acetic acid
SMILESCn1ccc(CN(CC(=O)O)Cc2ccn(C)n2)n1
InChIInChI=1S/C12H17N5O2/c1-15-5-3-10(13-15)7-17(9-12(18)19)8-11-4-6-16(2)14-11/h3-6H,7-9H2,1-2H3,(H,18,19)
InChIKeyHGSIYVJOAKAGQU-UHFFFAOYSA-N
MW263.30 g/mol
LogP0.24
Rot. Bonds6

About 2-[bis[(1-methylpyrazol-3-yl)methyl]amino]acetic acid

2-[bis[(1-methylpyrazol-3-yl)methyl]amino]acetic acid (PubChem CID 140802631) has the molecular formula C12H17N5O2 and a molecular weight of 263.30 g/mol. Its IUPAC name is 2-[bis[(1-methylpyrazol-3-yl)methyl]amino]acetic acid.

Molecular Properties

Compound Name2-[bis[(1-methylpyrazol-3-yl)methyl]amino]acetic acid
PubChem CID140802631
Molecular FormulaC12H17N5O2
Molecular Weight263.30 g/mol
Exact Mass263.14
IUPAC Name2-[bis[(1-methylpyrazol-3-yl)methyl]amino]acetic acid
SMILESCn1ccc(CN(CC(=O)O)Cc2ccn(C)n2)n1
InChIInChI=1S/C12H17N5O2/c1-15-5-3-10(13-15)7-17(9-12(18)19)8-11-4-6-16(2)14-11/h3-6H,7-9H2,1-2H3,(H,18,19)
InChIKeyHGSIYVJOAKAGQU-UHFFFAOYSA-N
XLogP0.24
TPSA76.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[bis[(1-methylpyrazol-3-yl)methyl]amino]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[bis[(1-methylpyrazol-3-yl)methyl]amino]acetic acid?
The IUPAC name of 2-[bis[(1-methylpyrazol-3-yl)methyl]amino]acetic acid (CID 140802631) is 2-[bis[(1-methylpyrazol-3-yl)methyl]amino]acetic acid.
What is the SMILES notation for 2-[bis[(1-methylpyrazol-3-yl)methyl]amino]acetic acid?
The canonical SMILES for 2-[bis[(1-methylpyrazol-3-yl)methyl]amino]acetic acid is Cn1ccc(CN(CC(=O)O)Cc2ccn(C)n2)n1.
What is the InChIKey of 2-[bis[(1-methylpyrazol-3-yl)methyl]amino]acetic acid?
The InChIKey is HGSIYVJOAKAGQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O2/c1-15-5-3-10(13-15)7-17(9-12(18)19)8-11-4-6-16(2)14-11/h3-6H,7-9H2,1-2H3,(H,18,19).
What are the key properties of 2-[bis[(1-methylpyrazol-3-yl)methyl]amino]acetic acid?
2-[bis[(1-methylpyrazol-3-yl)methyl]amino]acetic acid has a molecular weight of 263.30 g/mol, XLogP of 0.24, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis[(1-methylpyrazol-3-yl)methyl]amino]acetic acid is sourced from PubChem (CID 140802631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).