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

C5H7N3O2 — CID 19590120

IUPAC2-(1H-pyrazol-5-ylamino)acetic acid
SMILESO=C(O)CNc1ccn[nH]1
InChIInChI=1S/C5H7N3O2/c9-5(10)3-6-4-1-2-7-8-4/h1-2H,3H2,(H,9,10)(H2,6,7,8)
InChIKeyIBQHFEBDWGMBCG-UHFFFAOYSA-N
MW141.13 g/mol
LogP-0.09
Rot. Bonds3

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

2-(1H-pyrazol-5-ylamino)acetic acid (PubChem CID 19590120) has the molecular formula C5H7N3O2 and a molecular weight of 141.13 g/mol. Its IUPAC name is 2-(1H-pyrazol-5-ylamino)acetic acid.

Molecular Properties

Compound Name2-(1H-pyrazol-5-ylamino)acetic acid
PubChem CID19590120
Molecular FormulaC5H7N3O2
Molecular Weight141.13 g/mol
Exact Mass141.05
IUPAC Name2-(1H-pyrazol-5-ylamino)acetic acid
SMILESO=C(O)CNc1ccn[nH]1
InChIInChI=1S/C5H7N3O2/c9-5(10)3-6-4-1-2-7-8-4/h1-2H,3H2,(H,9,10)(H2,6,7,8)
InChIKeyIBQHFEBDWGMBCG-UHFFFAOYSA-N
XLogP-0.09
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.13
LogP ≤ 5-0.09
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-ylamino)acetic acid?
The IUPAC name of 2-(1H-pyrazol-5-ylamino)acetic acid (CID 19590120) is 2-(1H-pyrazol-5-ylamino)acetic acid.
What is the SMILES notation for 2-(1H-pyrazol-5-ylamino)acetic acid?
The canonical SMILES for 2-(1H-pyrazol-5-ylamino)acetic acid is O=C(O)CNc1ccn[nH]1.
What is the InChIKey of 2-(1H-pyrazol-5-ylamino)acetic acid?
The InChIKey is IBQHFEBDWGMBCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3O2/c9-5(10)3-6-4-1-2-7-8-4/h1-2H,3H2,(H,9,10)(H2,6,7,8).
What are the key properties of 2-(1H-pyrazol-5-ylamino)acetic acid?
2-(1H-pyrazol-5-ylamino)acetic acid has a molecular weight of 141.13 g/mol, XLogP of -0.09, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-pyrazol-5-ylamino)acetic acid is sourced from PubChem (CID 19590120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).