2-[1-[(1-methylpyrazol-4-yl)methyl]azetidin-3-yl]acetic acid

C10H15N3O2 — CID 64616119

IUPAC2-[1-[(1-methylpyrazol-4-yl)methyl]azetidin-3-yl]acetic acid
SMILESCn1cc(CN2CC(CC(=O)O)C2)cn1
InChIInChI=1S/C10H15N3O2/c1-12-4-9(3-11-12)7-13-5-8(6-13)2-10(14)15/h3-4,8H,2,5-7H2,1H3,(H,14,15)
InChIKeyYDRLURMAAHUGAT-UHFFFAOYSA-N
MW209.25 g/mol
LogP0.33
Rot. Bonds4

About 2-[1-[(1-methylpyrazol-4-yl)methyl]azetidin-3-yl]acetic acid

2-[1-[(1-methylpyrazol-4-yl)methyl]azetidin-3-yl]acetic acid (PubChem CID 64616119) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is 2-[1-[(1-methylpyrazol-4-yl)methyl]azetidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[(1-methylpyrazol-4-yl)methyl]azetidin-3-yl]acetic acid
PubChem CID64616119
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name2-[1-[(1-methylpyrazol-4-yl)methyl]azetidin-3-yl]acetic acid
SMILESCn1cc(CN2CC(CC(=O)O)C2)cn1
InChIInChI=1S/C10H15N3O2/c1-12-4-9(3-11-12)7-13-5-8(6-13)2-10(14)15/h3-4,8H,2,5-7H2,1H3,(H,14,15)
InChIKeyYDRLURMAAHUGAT-UHFFFAOYSA-N
XLogP0.33
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-3-carboxylic acid
CID 63722146
1-[(1-methylpyrazol-4-yl)methyl]azetidin-3-ol
CID 63282120
2-[1-[(1-methylpyrazol-4-yl)methylcarbamoyl]azetidin-3-yl]acetic acid
CID 64617071
2-[1-[methyl-[(1-methylpyrazol-4-yl)methyl]carbamoyl]azetidin-3-yl]acetic acid
CID 64618242
2-[8-[2-(1-methylpyrazol-4-yl)ethyl]-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
CID 103004897
3-chloro-5-methyl-1-[(1-methylpyrazol-4-yl)methyl]piperidine
CID 131002547
2-[1-[(4-methylsulfanylphenyl)methyl]azetidin-3-yl]acetic acid
CID 64618526
2-[1-[3-(1-methylpyrazol-4-yl)propanoyl]piperidin-4-yl]acetic acid
CID 119178287
(3aR,6aS)-5-[(1-methylpyrazol-4-yl)methyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;hydrochloride
CID 120660803
2-[(4S)-1-[2-(1-methylpyrazol-4-yl)acetyl]azepan-4-yl]acetic acid
CID 129489196
methyl (6R)-6-methyl-4-[(1-methylpyrazol-4-yl)methyl]morpholine-2-carboxylate
CID 75426549
2-(1-methylpyrazol-4-yl)ethane-1,1,1-tricarboxylic acid
CID 91254257

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(1-methylpyrazol-4-yl)methyl]azetidin-3-yl]acetic acid?
The IUPAC name of 2-[1-[(1-methylpyrazol-4-yl)methyl]azetidin-3-yl]acetic acid (CID 64616119) is 2-[1-[(1-methylpyrazol-4-yl)methyl]azetidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-[(1-methylpyrazol-4-yl)methyl]azetidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-[(1-methylpyrazol-4-yl)methyl]azetidin-3-yl]acetic acid is Cn1cc(CN2CC(CC(=O)O)C2)cn1.
What is the InChIKey of 2-[1-[(1-methylpyrazol-4-yl)methyl]azetidin-3-yl]acetic acid?
The InChIKey is YDRLURMAAHUGAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-12-4-9(3-11-12)7-13-5-8(6-13)2-10(14)15/h3-4,8H,2,5-7H2,1H3,(H,14,15).
What are the key properties of 2-[1-[(1-methylpyrazol-4-yl)methyl]azetidin-3-yl]acetic acid?
2-[1-[(1-methylpyrazol-4-yl)methyl]azetidin-3-yl]acetic acid has a molecular weight of 209.25 g/mol, XLogP of 0.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(1-methylpyrazol-4-yl)methyl]azetidin-3-yl]acetic acid is sourced from PubChem (CID 64616119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).