5-[(Z)-2-aminoethenyl]-1H-pyrazole-3-carboxylic acid

C6H7N3O2 — CID 58810625

IUPAC5-[(Z)-2-aminoethenyl]-1H-pyrazole-3-carboxylic acid
SMILESN/C=C\c1cc(C(=O)O)n[nH]1
InChIInChI=1S/C6H7N3O2/c7-2-1-4-3-5(6(10)11)9-8-4/h1-3H,7H2,(H,8,9)(H,10,11)/b2-1-
InChIKeyQOFBVDJWYFYWMH-UPHRSURJSA-N
MW153.14 g/mol
LogP0.04
Rot. Bonds2

About 5-[(Z)-2-aminoethenyl]-1H-pyrazole-3-carboxylic acid

5-[(Z)-2-aminoethenyl]-1H-pyrazole-3-carboxylic acid (PubChem CID 58810625) has the molecular formula C6H7N3O2 and a molecular weight of 153.14 g/mol. Its IUPAC name is 5-[(Z)-2-aminoethenyl]-1H-pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name5-[(Z)-2-aminoethenyl]-1H-pyrazole-3-carboxylic acid
PubChem CID58810625
Molecular FormulaC6H7N3O2
Molecular Weight153.14 g/mol
Exact Mass153.05
IUPAC Name5-[(Z)-2-aminoethenyl]-1H-pyrazole-3-carboxylic acid
SMILESN/C=C\c1cc(C(=O)O)n[nH]1
InChIInChI=1S/C6H7N3O2/c7-2-1-4-3-5(6(10)11)9-8-4/h1-3H,7H2,(H,8,9)(H,10,11)/b2-1-
InChIKeyQOFBVDJWYFYWMH-UPHRSURJSA-N
XLogP0.04
TPSA92.00 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.14
LogP ≤ 50.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(Z)-2-aminoethenyl]-1H-pyrazole-3-carboxylic acid?
The IUPAC name of 5-[(Z)-2-aminoethenyl]-1H-pyrazole-3-carboxylic acid (CID 58810625) is 5-[(Z)-2-aminoethenyl]-1H-pyrazole-3-carboxylic acid.
What is the SMILES notation for 5-[(Z)-2-aminoethenyl]-1H-pyrazole-3-carboxylic acid?
The canonical SMILES for 5-[(Z)-2-aminoethenyl]-1H-pyrazole-3-carboxylic acid is N/C=C\c1cc(C(=O)O)n[nH]1.
What is the InChIKey of 5-[(Z)-2-aminoethenyl]-1H-pyrazole-3-carboxylic acid?
The InChIKey is QOFBVDJWYFYWMH-UPHRSURJSA-N. The full InChI is InChI=1S/C6H7N3O2/c7-2-1-4-3-5(6(10)11)9-8-4/h1-3H,7H2,(H,8,9)(H,10,11)/b2-1-.
What are the key properties of 5-[(Z)-2-aminoethenyl]-1H-pyrazole-3-carboxylic acid?
5-[(Z)-2-aminoethenyl]-1H-pyrazole-3-carboxylic acid has a molecular weight of 153.14 g/mol, XLogP of 0.04, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(Z)-2-aminoethenyl]-1H-pyrazole-3-carboxylic acid is sourced from PubChem (CID 58810625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).