3-(3-pyrazol-1-ylpropylamino)pyrazine-2-carboxylic acid

C11H13N5O2 — CID 113413256

IUPAC3-(3-pyrazol-1-ylpropylamino)pyrazine-2-carboxylic acid
SMILESO=C(O)c1nccnc1NCCCn1cccn1
InChIInChI=1S/C11H13N5O2/c17-11(18)9-10(14-6-5-12-9)13-3-1-7-16-8-2-4-15-16/h2,4-6,8H,1,3,7H2,(H,13,14)(H,17,18)
InChIKeyVFDLLVVTMDEHIM-UHFFFAOYSA-N
MW247.26 g/mol
LogP0.87
Rot. Bonds6

About 3-(3-pyrazol-1-ylpropylamino)pyrazine-2-carboxylic acid

3-(3-pyrazol-1-ylpropylamino)pyrazine-2-carboxylic acid (PubChem CID 113413256) has the molecular formula C11H13N5O2 and a molecular weight of 247.26 g/mol. Its IUPAC name is 3-(3-pyrazol-1-ylpropylamino)pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name3-(3-pyrazol-1-ylpropylamino)pyrazine-2-carboxylic acid
PubChem CID113413256
Molecular FormulaC11H13N5O2
Molecular Weight247.26 g/mol
Exact Mass247.11
IUPAC Name3-(3-pyrazol-1-ylpropylamino)pyrazine-2-carboxylic acid
SMILESO=C(O)c1nccnc1NCCCn1cccn1
InChIInChI=1S/C11H13N5O2/c17-11(18)9-10(14-6-5-12-9)13-3-1-7-16-8-2-4-15-16/h2,4-6,8H,1,3,7H2,(H,13,14)(H,17,18)
InChIKeyVFDLLVVTMDEHIM-UHFFFAOYSA-N
XLogP0.87
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.26
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(4-hydroxybutylamino)pyrazine-2-carboxylic acid
CID 106844182
3-(3-pyrazol-1-ylpropylamino)-1H-pyrazin-2-one
CID 115657026
4-methyl-2-(3-pyrazol-1-ylpropylamino)pyridine-3-carboxamide
CID 167948266
N-(3-pyrazol-1-ylpropyl)-3-(trifluoromethyl)pyridin-2-amine
CID 115579994
3-(1-pyrazol-1-ylpropan-2-ylamino)pyrazine-2-carboxylic acid
CID 62709836
N-(3-pyrazol-1-ylpropyl)pyrazin-2-amine
CID 115580003
3-nitro-N-(3-pyrazol-1-ylpropyl)pyridin-2-amine
CID 112684451
5-amino-3-chloro-2-(3-pyrazol-1-ylpropylamino)benzoic acid
CID 107196634
4-(3-pyrazol-1-ylpropylcarbamoyl)-1H-imidazole-5-carboxylic acid
CID 113412435
5-chloro-N-(3-pyrazol-1-ylpropyl)pyrimidin-4-amine
CID 105369599
3-[2-(dimethylsulfamoyl)ethylamino]pyrazine-2-carboxylic acid
CID 114176023
(E)-4-(3-pyrazol-1-ylpropylamino)but-2-enoic acid
CID 103263443

Frequently Asked Questions

What is the IUPAC name of 3-(3-pyrazol-1-ylpropylamino)pyrazine-2-carboxylic acid?
The IUPAC name of 3-(3-pyrazol-1-ylpropylamino)pyrazine-2-carboxylic acid (CID 113413256) is 3-(3-pyrazol-1-ylpropylamino)pyrazine-2-carboxylic acid.
What is the SMILES notation for 3-(3-pyrazol-1-ylpropylamino)pyrazine-2-carboxylic acid?
The canonical SMILES for 3-(3-pyrazol-1-ylpropylamino)pyrazine-2-carboxylic acid is O=C(O)c1nccnc1NCCCn1cccn1.
What is the InChIKey of 3-(3-pyrazol-1-ylpropylamino)pyrazine-2-carboxylic acid?
The InChIKey is VFDLLVVTMDEHIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O2/c17-11(18)9-10(14-6-5-12-9)13-3-1-7-16-8-2-4-15-16/h2,4-6,8H,1,3,7H2,(H,13,14)(H,17,18).
What are the key properties of 3-(3-pyrazol-1-ylpropylamino)pyrazine-2-carboxylic acid?
3-(3-pyrazol-1-ylpropylamino)pyrazine-2-carboxylic acid has a molecular weight of 247.26 g/mol, XLogP of 0.87, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-pyrazol-1-ylpropylamino)pyrazine-2-carboxylic acid is sourced from PubChem (CID 113413256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).