2-[(5-methyl-1H-pyrazol-4-yl)methylamino]acetic acid

C7H11N3O2 — CID 43663721

IUPAC2-[(5-methyl-1H-pyrazol-4-yl)methylamino]acetic acid
SMILESCc1[nH]ncc1CNCC(=O)O
InChIInChI=1S/C7H11N3O2/c1-5-6(3-9-10-5)2-8-4-7(11)12/h3,8H,2,4H2,1H3,(H,9,10)(H,11,12)
InChIKeyPVPHYLVYGOFQRI-UHFFFAOYSA-N
MW169.18 g/mol
LogP-0.11
Rot. Bonds4

About 2-[(5-methyl-1H-pyrazol-4-yl)methylamino]acetic acid

2-[(5-methyl-1H-pyrazol-4-yl)methylamino]acetic acid (PubChem CID 43663721) has the molecular formula C7H11N3O2 and a molecular weight of 169.18 g/mol. Its IUPAC name is 2-[(5-methyl-1H-pyrazol-4-yl)methylamino]acetic acid.

Molecular Properties

Compound Name2-[(5-methyl-1H-pyrazol-4-yl)methylamino]acetic acid
PubChem CID43663721
Molecular FormulaC7H11N3O2
Molecular Weight169.18 g/mol
Exact Mass169.09
IUPAC Name2-[(5-methyl-1H-pyrazol-4-yl)methylamino]acetic acid
SMILESCc1[nH]ncc1CNCC(=O)O
InChIInChI=1S/C7H11N3O2/c1-5-6(3-9-10-5)2-8-4-7(11)12/h3,8H,2,4H2,1H3,(H,9,10)(H,11,12)
InChIKeyPVPHYLVYGOFQRI-UHFFFAOYSA-N
XLogP-0.11
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 5-0.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-methyl-1H-pyrazol-4-yl)methylamino]acetic acid?
The IUPAC name of 2-[(5-methyl-1H-pyrazol-4-yl)methylamino]acetic acid (CID 43663721) is 2-[(5-methyl-1H-pyrazol-4-yl)methylamino]acetic acid.
What is the SMILES notation for 2-[(5-methyl-1H-pyrazol-4-yl)methylamino]acetic acid?
The canonical SMILES for 2-[(5-methyl-1H-pyrazol-4-yl)methylamino]acetic acid is Cc1[nH]ncc1CNCC(=O)O.
What is the InChIKey of 2-[(5-methyl-1H-pyrazol-4-yl)methylamino]acetic acid?
The InChIKey is PVPHYLVYGOFQRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O2/c1-5-6(3-9-10-5)2-8-4-7(11)12/h3,8H,2,4H2,1H3,(H,9,10)(H,11,12).
What are the key properties of 2-[(5-methyl-1H-pyrazol-4-yl)methylamino]acetic acid?
2-[(5-methyl-1H-pyrazol-4-yl)methylamino]acetic acid has a molecular weight of 169.18 g/mol, XLogP of -0.11, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methyl-1H-pyrazol-4-yl)methylamino]acetic acid is sourced from PubChem (CID 43663721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).