5-[(4-aminopyrazol-1-yl)methyl]-1,2,4-oxadiazole-3-carboxylic acid

C7H7N5O3 — CID 112632012

IUPAC5-[(4-aminopyrazol-1-yl)methyl]-1,2,4-oxadiazole-3-carboxylic acid
SMILESNc1cnn(Cc2nc(C(=O)O)no2)c1
InChIInChI=1S/C7H7N5O3/c8-4-1-9-12(2-4)3-5-10-6(7(13)14)11-15-5/h1-2H,3,8H2,(H,13,14)
InChIKeyLZGMCHGAQJRTKW-UHFFFAOYSA-N
MW209.17 g/mol
LogP-0.41
Rot. Bonds3

About 5-[(4-aminopyrazol-1-yl)methyl]-1,2,4-oxadiazole-3-carboxylic acid

5-[(4-aminopyrazol-1-yl)methyl]-1,2,4-oxadiazole-3-carboxylic acid (PubChem CID 112632012) has the molecular formula C7H7N5O3 and a molecular weight of 209.17 g/mol. Its IUPAC name is 5-[(4-aminopyrazol-1-yl)methyl]-1,2,4-oxadiazole-3-carboxylic acid.

Molecular Properties

Compound Name5-[(4-aminopyrazol-1-yl)methyl]-1,2,4-oxadiazole-3-carboxylic acid
PubChem CID112632012
Molecular FormulaC7H7N5O3
Molecular Weight209.17 g/mol
Exact Mass209.05
IUPAC Name5-[(4-aminopyrazol-1-yl)methyl]-1,2,4-oxadiazole-3-carboxylic acid
SMILESNc1cnn(Cc2nc(C(=O)O)no2)c1
InChIInChI=1S/C7H7N5O3/c8-4-1-9-12(2-4)3-5-10-6(7(13)14)11-15-5/h1-2H,3,8H2,(H,13,14)
InChIKeyLZGMCHGAQJRTKW-UHFFFAOYSA-N
XLogP-0.41
TPSA120.06 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.17
LogP ≤ 5-0.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-[(4-iodopyrazol-1-yl)methyl]-1,2,4-oxadiazole-3-carboxylic acid
CID 131049334
1-[[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazol-4-amine
CID 62717203
4-[5-[(4-aminopyrazol-1-yl)methyl]-1,2,4-oxadiazol-3-yl]benzene-1,2-diol
CID 136889011
1-[[3-(2-phenylpropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrazol-4-amine
CID 63085525
1-[[3-(ethylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazol-4-amine
CID 65130997
1-[[3-(pyridin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazol-4-amine
CID 62552548
1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrazol-4-amine
CID 55103645
1-[[3-[(4-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]pyrazol-4-amine
CID 62329913
1-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]pyrazol-4-amine
CID 61284572
5-[(4-aminopyrazol-1-yl)methyl]furan-2-carboxylic acid;hydrochloride
CID 90484260
1-[[3-(1-ethoxy-2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazol-4-amine
CID 116704210
1-[[3-(cyclohexylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazol-4-amine
CID 65140812

Frequently Asked Questions

What is the IUPAC name of 5-[(4-aminopyrazol-1-yl)methyl]-1,2,4-oxadiazole-3-carboxylic acid?
The IUPAC name of 5-[(4-aminopyrazol-1-yl)methyl]-1,2,4-oxadiazole-3-carboxylic acid (CID 112632012) is 5-[(4-aminopyrazol-1-yl)methyl]-1,2,4-oxadiazole-3-carboxylic acid.
What is the SMILES notation for 5-[(4-aminopyrazol-1-yl)methyl]-1,2,4-oxadiazole-3-carboxylic acid?
The canonical SMILES for 5-[(4-aminopyrazol-1-yl)methyl]-1,2,4-oxadiazole-3-carboxylic acid is Nc1cnn(Cc2nc(C(=O)O)no2)c1.
What is the InChIKey of 5-[(4-aminopyrazol-1-yl)methyl]-1,2,4-oxadiazole-3-carboxylic acid?
The InChIKey is LZGMCHGAQJRTKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N5O3/c8-4-1-9-12(2-4)3-5-10-6(7(13)14)11-15-5/h1-2H,3,8H2,(H,13,14).
What are the key properties of 5-[(4-aminopyrazol-1-yl)methyl]-1,2,4-oxadiazole-3-carboxylic acid?
5-[(4-aminopyrazol-1-yl)methyl]-1,2,4-oxadiazole-3-carboxylic acid has a molecular weight of 209.17 g/mol, XLogP of -0.41, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-aminopyrazol-1-yl)methyl]-1,2,4-oxadiazole-3-carboxylic acid is sourced from PubChem (CID 112632012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).