2-(3-aminopyrazol-1-yl)acetic acid;hydrochloride

C5H8ClN3O2 — CID 68584294

IUPAC2-(3-aminopyrazol-1-yl)acetic acid;hydrochloride
SMILESCl.Nc1ccn(CC(=O)O)n1
InChIInChI=1S/C5H7N3O2.ClH/c6-4-1-2-8(7-4)3-5(9)10;/h1-2H,3H2,(H2,6,7)(H,9,10);1H
InChIKeyKTIFRJLAYYKJFV-UHFFFAOYSA-N
MW177.59 g/mol
LogP-0.03
Rot. Bonds2

About 2-(3-aminopyrazol-1-yl)acetic acid;hydrochloride

2-(3-aminopyrazol-1-yl)acetic acid;hydrochloride (PubChem CID 68584294) has the molecular formula C5H8ClN3O2 and a molecular weight of 177.59 g/mol. Its IUPAC name is 2-(3-aminopyrazol-1-yl)acetic acid;hydrochloride.

Molecular Properties

Compound Name2-(3-aminopyrazol-1-yl)acetic acid;hydrochloride
PubChem CID68584294
Molecular FormulaC5H8ClN3O2
Molecular Weight177.59 g/mol
Exact Mass177.03
IUPAC Name2-(3-aminopyrazol-1-yl)acetic acid;hydrochloride
SMILESCl.Nc1ccn(CC(=O)O)n1
InChIInChI=1S/C5H7N3O2.ClH/c6-4-1-2-8(7-4)3-5(9)10;/h1-2H,3H2,(H2,6,7)(H,9,10);1H
InChIKeyKTIFRJLAYYKJFV-UHFFFAOYSA-N
XLogP-0.03
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.59
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-aminopyrazol-1-yl)propanoic acid;hydrochloride
CID 90482953
2-(3-aminopyrazol-1-yl)-N-methylacetamide
CID 60783095
2-phenylethyl 2-(3-aminopyrazol-1-yl)acetate
CID 62113235
2-(3-aminopyrazol-1-yl)-N-[1-(hydroxymethyl)cyclopentyl]acetamide
CID 62524961
2-[2-(3-aminopyrazol-1-yl)acetyl]oxypropanoic acid
CID 62111762
N-(2-acetamidoethyl)-2-(3-aminopyrazol-1-yl)acetamide
CID 62101709
2-(3-aminopyrazol-1-yl)-N-[2-(dimethylamino)ethyl]-N-methylacetamide
CID 63693887
2-(3-aminopyrazol-1-yl)-1-(4-methylpiperazin-1-yl)ethanone
CID 54594517
N-(2-amino-2-oxoethyl)-2-(3-aminopyrazol-1-yl)-N-methylacetamide
CID 62101394
2-(3-aminopyrazol-1-yl)-1-thiomorpholin-4-ylethanone
CID 62102676
2-(3-aminopyrazol-1-yl)-N-[4-(hydroxymethyl)oxan-4-yl]acetamide
CID 114169959
2-(3-aminopyrazol-1-yl)-N-[(1R)-1-phenylethyl]acetamide
CID 107863852

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminopyrazol-1-yl)acetic acid;hydrochloride?
The IUPAC name of 2-(3-aminopyrazol-1-yl)acetic acid;hydrochloride (CID 68584294) is 2-(3-aminopyrazol-1-yl)acetic acid;hydrochloride.
What is the SMILES notation for 2-(3-aminopyrazol-1-yl)acetic acid;hydrochloride?
The canonical SMILES for 2-(3-aminopyrazol-1-yl)acetic acid;hydrochloride is Cl.Nc1ccn(CC(=O)O)n1.
What is the InChIKey of 2-(3-aminopyrazol-1-yl)acetic acid;hydrochloride?
The InChIKey is KTIFRJLAYYKJFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3O2.ClH/c6-4-1-2-8(7-4)3-5(9)10;/h1-2H,3H2,(H2,6,7)(H,9,10);1H.
What are the key properties of 2-(3-aminopyrazol-1-yl)acetic acid;hydrochloride?
2-(3-aminopyrazol-1-yl)acetic acid;hydrochloride has a molecular weight of 177.59 g/mol, XLogP of -0.03, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminopyrazol-1-yl)acetic acid;hydrochloride is sourced from PubChem (CID 68584294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).