2-[methyl-(1-methylpyrazol-4-yl)amino]acetic acid

C7H11N3O2 — CID 82538136

IUPAC2-[methyl-(1-methylpyrazol-4-yl)amino]acetic acid
SMILESCN(CC(=O)O)c1cnn(C)c1
InChIInChI=1S/C7H11N3O2/c1-9(5-7(11)12)6-3-8-10(2)4-6/h3-4H,5H2,1-2H3,(H,11,12)
InChIKeyBYOVEILSMATMAB-UHFFFAOYSA-N
MW169.18 g/mol
LogP-0.06
Rot. Bonds3

About 2-[methyl-(1-methylpyrazol-4-yl)amino]acetic acid

2-[methyl-(1-methylpyrazol-4-yl)amino]acetic acid (PubChem CID 82538136) has the molecular formula C7H11N3O2 and a molecular weight of 169.18 g/mol. Its IUPAC name is 2-[methyl-(1-methylpyrazol-4-yl)amino]acetic acid.

Molecular Properties

Compound Name2-[methyl-(1-methylpyrazol-4-yl)amino]acetic acid
PubChem CID82538136
Molecular FormulaC7H11N3O2
Molecular Weight169.18 g/mol
Exact Mass169.09
IUPAC Name2-[methyl-(1-methylpyrazol-4-yl)amino]acetic acid
SMILESCN(CC(=O)O)c1cnn(C)c1
InChIInChI=1S/C7H11N3O2/c1-9(5-7(11)12)6-3-8-10(2)4-6/h3-4H,5H2,1-2H3,(H,11,12)
InChIKeyBYOVEILSMATMAB-UHFFFAOYSA-N
XLogP-0.06
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 5-0.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-bromoprop-2-enyl)-N,1-dimethylpyrazol-4-amine
CID 75512536
2-[methyl-[3-(1-methylpyrazol-4-yl)propyl]amino]acetic acid
CID 56703387
2-[methyl-(1-methylpyrazol-4-yl)sulfonylamino]acetic acid
CID 43361158
2-[methyl-[methyl-[(1-methylpyrazol-4-yl)methyl]carbamoyl]amino]acetic acid
CID 61440246
2-[carboxymethyl-[methyl-[(1-methylpyrazol-4-yl)methyl]carbamoyl]amino]acetic acid
CID 63644606
2-[tert-butyl-(1-methylpyrazole-4-carbonyl)amino]acetic acid
CID 79266390
2-[ethyl-[1-(1-methylpyrazol-4-yl)ethyl]amino]acetic acid
CID 65063078
N,1-dimethyl-N-trimethylsilylpyrazol-4-amine
CID 140624297
(2R)-2-amino-N-methyl-N-(1-methylpyrazol-4-yl)propanamide;hydrochloride
CID 130617270
2-[1,3-dihydro-2-benzofuran-5-ylsulfonyl-(1-methylpyrazol-4-yl)amino]acetic acid
CID 126831241
2-[cyclopentyl-(1-methylpyrazole-4-carbonyl)amino]acetic acid
CID 54926515
3-[methyl-(1-methylpyrazole-4-carbonyl)amino]propanoic acid
CID 60989525

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-(1-methylpyrazol-4-yl)amino]acetic acid?
The IUPAC name of 2-[methyl-(1-methylpyrazol-4-yl)amino]acetic acid (CID 82538136) is 2-[methyl-(1-methylpyrazol-4-yl)amino]acetic acid.
What is the SMILES notation for 2-[methyl-(1-methylpyrazol-4-yl)amino]acetic acid?
The canonical SMILES for 2-[methyl-(1-methylpyrazol-4-yl)amino]acetic acid is CN(CC(=O)O)c1cnn(C)c1.
What is the InChIKey of 2-[methyl-(1-methylpyrazol-4-yl)amino]acetic acid?
The InChIKey is BYOVEILSMATMAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O2/c1-9(5-7(11)12)6-3-8-10(2)4-6/h3-4H,5H2,1-2H3,(H,11,12).
What are the key properties of 2-[methyl-(1-methylpyrazol-4-yl)amino]acetic acid?
2-[methyl-(1-methylpyrazol-4-yl)amino]acetic acid has a molecular weight of 169.18 g/mol, XLogP of -0.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-(1-methylpyrazol-4-yl)amino]acetic acid is sourced from PubChem (CID 82538136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).