2-(1H-pyrazol-5-ylmethylamino)acetic acid

C6H9N3O2 — CID 43662529

IUPAC2-(1H-pyrazol-5-ylmethylamino)acetic acid
SMILESO=C(O)CNCc1ccn[nH]1
InChIInChI=1S/C6H9N3O2/c10-6(11)4-7-3-5-1-2-8-9-5/h1-2,7H,3-4H2,(H,8,9)(H,10,11)
InChIKeyJCHZFKGNLJDANX-UHFFFAOYSA-N
MW155.16 g/mol
LogP-0.42
Rot. Bonds4

About 2-(1H-pyrazol-5-ylmethylamino)acetic acid

2-(1H-pyrazol-5-ylmethylamino)acetic acid (PubChem CID 43662529) has the molecular formula C6H9N3O2 and a molecular weight of 155.16 g/mol. Its IUPAC name is 2-(1H-pyrazol-5-ylmethylamino)acetic acid.

Molecular Properties

Compound Name2-(1H-pyrazol-5-ylmethylamino)acetic acid
PubChem CID43662529
Molecular FormulaC6H9N3O2
Molecular Weight155.16 g/mol
Exact Mass155.07
IUPAC Name2-(1H-pyrazol-5-ylmethylamino)acetic acid
SMILESO=C(O)CNCc1ccn[nH]1
InChIInChI=1S/C6H9N3O2/c10-6(11)4-7-3-5-1-2-8-9-5/h1-2,7H,3-4H2,(H,8,9)(H,10,11)
InChIKeyJCHZFKGNLJDANX-UHFFFAOYSA-N
XLogP-0.42
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.16
LogP ≤ 5-0.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-pyrazol-5-ylmethylamino)acetic acid?
The IUPAC name of 2-(1H-pyrazol-5-ylmethylamino)acetic acid (CID 43662529) is 2-(1H-pyrazol-5-ylmethylamino)acetic acid.
What is the SMILES notation for 2-(1H-pyrazol-5-ylmethylamino)acetic acid?
The canonical SMILES for 2-(1H-pyrazol-5-ylmethylamino)acetic acid is O=C(O)CNCc1ccn[nH]1.
What is the InChIKey of 2-(1H-pyrazol-5-ylmethylamino)acetic acid?
The InChIKey is JCHZFKGNLJDANX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O2/c10-6(11)4-7-3-5-1-2-8-9-5/h1-2,7H,3-4H2,(H,8,9)(H,10,11).
What are the key properties of 2-(1H-pyrazol-5-ylmethylamino)acetic acid?
2-(1H-pyrazol-5-ylmethylamino)acetic acid has a molecular weight of 155.16 g/mol, XLogP of -0.42, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-pyrazol-5-ylmethylamino)acetic acid is sourced from PubChem (CID 43662529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).