5-(2-aminoethyl)-1H-pyrazole-3-carboxylic acid

C6H9N3O2 — CID 58810628

IUPAC5-(2-aminoethyl)-1H-pyrazole-3-carboxylic acid
SMILESNCCc1cc(C(=O)O)n[nH]1
InChIInChI=1S/C6H9N3O2/c7-2-1-4-3-5(6(10)11)9-8-4/h3H,1-2,7H2,(H,8,9)(H,10,11)
InChIKeyVTWWRFBZWAKAJR-UHFFFAOYSA-N
MW155.16 g/mol
LogP-0.39
Rot. Bonds3

About 5-(2-aminoethyl)-1H-pyrazole-3-carboxylic acid

5-(2-aminoethyl)-1H-pyrazole-3-carboxylic acid (PubChem CID 58810628) has the molecular formula C6H9N3O2 and a molecular weight of 155.16 g/mol. Its IUPAC name is 5-(2-aminoethyl)-1H-pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name5-(2-aminoethyl)-1H-pyrazole-3-carboxylic acid
PubChem CID58810628
Molecular FormulaC6H9N3O2
Molecular Weight155.16 g/mol
Exact Mass155.07
IUPAC Name5-(2-aminoethyl)-1H-pyrazole-3-carboxylic acid
SMILESNCCc1cc(C(=O)O)n[nH]1
InChIInChI=1S/C6H9N3O2/c7-2-1-4-3-5(6(10)11)9-8-4/h3H,1-2,7H2,(H,8,9)(H,10,11)
InChIKeyVTWWRFBZWAKAJR-UHFFFAOYSA-N
XLogP-0.39
TPSA92.00 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.16
LogP ≤ 5-0.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-(3-acetyloxypropyl)-1H-pyrazole-3-carboxylic acid
CID 58810604
5-ethyl-1H-pyrazole-3-carboxylic acid
CID 4913402
5-(ethylsulfonylmethyl)-1H-pyrazole-3-carboxylic acid
CID 58810610
5-[(2-bromophenyl)methyl]-1H-pyrazole-3-carboxylic acid
CID 115093063
5-[(2-hydroxyphenoxy)methyl]-1H-pyrazole-3-carboxylic acid
CID 117215961
5-(propan-2-ylsulfanylmethyl)-1H-pyrazole-3-carboxylic acid
CID 117215986
5-[(3-hydroxyphenyl)methyl]-1H-pyrazole-3-carboxylic acid
CID 115093007
5-[(4-bromo-1H-pyrazole-5-carbonyl)oxymethyl]-1H-pyrazole-3-carboxylic acid
CID 129227575
gadolinium(3+);bis(1H-pyrazole-3,5-dicarboxylic acid);hydrate
CID 23730641
5-[(Z)-2-aminoethenyl]-1H-pyrazole-3-carboxylic acid
CID 58810625
5-(cyclobutylmethoxymethyl)-1H-pyrazole-3-carboxylic acid
CID 95732657
5-butyl-4-nitro-1H-pyrazole-3-carboxylic acid;5-butyl-1H-pyrazole-3-carboxylic acid
CID 158527865

Frequently Asked Questions

What is the IUPAC name of 5-(2-aminoethyl)-1H-pyrazole-3-carboxylic acid?
The IUPAC name of 5-(2-aminoethyl)-1H-pyrazole-3-carboxylic acid (CID 58810628) is 5-(2-aminoethyl)-1H-pyrazole-3-carboxylic acid.
What is the SMILES notation for 5-(2-aminoethyl)-1H-pyrazole-3-carboxylic acid?
The canonical SMILES for 5-(2-aminoethyl)-1H-pyrazole-3-carboxylic acid is NCCc1cc(C(=O)O)n[nH]1.
What is the InChIKey of 5-(2-aminoethyl)-1H-pyrazole-3-carboxylic acid?
The InChIKey is VTWWRFBZWAKAJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O2/c7-2-1-4-3-5(6(10)11)9-8-4/h3H,1-2,7H2,(H,8,9)(H,10,11).
What are the key properties of 5-(2-aminoethyl)-1H-pyrazole-3-carboxylic acid?
5-(2-aminoethyl)-1H-pyrazole-3-carboxylic acid has a molecular weight of 155.16 g/mol, XLogP of -0.39, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminoethyl)-1H-pyrazole-3-carboxylic acid is sourced from PubChem (CID 58810628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).