3-(1-pyrazol-1-ylpropan-2-ylamino)pyrazine-2-carboxylic acid

C11H13N5O2 — CID 62709836

IUPAC3-(1-pyrazol-1-ylpropan-2-ylamino)pyrazine-2-carboxylic acid
SMILESCC(Cn1cccn1)Nc1nccnc1C(=O)O
InChIInChI=1S/C11H13N5O2/c1-8(7-16-6-2-3-14-16)15-10-9(11(17)18)12-4-5-13-10/h2-6,8H,7H2,1H3,(H,13,15)(H,17,18)
InChIKeyVXESTYHINMNOEQ-UHFFFAOYSA-N
MW247.26 g/mol
LogP0.87
Rot. Bonds5

About 3-(1-pyrazol-1-ylpropan-2-ylamino)pyrazine-2-carboxylic acid

3-(1-pyrazol-1-ylpropan-2-ylamino)pyrazine-2-carboxylic acid (PubChem CID 62709836) has the molecular formula C11H13N5O2 and a molecular weight of 247.26 g/mol. Its IUPAC name is 3-(1-pyrazol-1-ylpropan-2-ylamino)pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name3-(1-pyrazol-1-ylpropan-2-ylamino)pyrazine-2-carboxylic acid
PubChem CID62709836
Molecular FormulaC11H13N5O2
Molecular Weight247.26 g/mol
Exact Mass247.11
IUPAC Name3-(1-pyrazol-1-ylpropan-2-ylamino)pyrazine-2-carboxylic acid
SMILESCC(Cn1cccn1)Nc1nccnc1C(=O)O
InChIInChI=1S/C11H13N5O2/c1-8(7-16-6-2-3-14-16)15-10-9(11(17)18)12-4-5-13-10/h2-6,8H,7H2,1H3,(H,13,15)(H,17,18)
InChIKeyVXESTYHINMNOEQ-UHFFFAOYSA-N
XLogP0.87
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
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

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Related Compounds

3-(hexan-2-ylamino)pyrazine-2-carboxylic acid
CID 62711324
3-(3-pyrazol-1-ylpropylamino)pyrazine-2-carboxylic acid
CID 113413256
3-(2-methylpentan-3-ylamino)pyrazine-2-carboxylic acid
CID 62709321
3-(1-hydroxypropan-2-ylamino)pyrazine-2-carboxylic acid;2,2,2-trifluoroacetic acid
CID 167881120
3-bromo-4-methyl-N-(1-pyrazol-1-ylpropan-2-yl)pyridin-2-amine
CID 106875596
5-nitro-2-[[(2R)-1-pyrazol-1-ylpropan-2-yl]amino]pyridine-3-carboxamide
CID 94178450
5-fluoro-2-(1-pyrazol-1-ylpropan-2-ylamino)benzoic acid
CID 63672825
2-chloro-4-(1-pyrazol-1-ylpropan-2-ylamino)benzoic acid
CID 62945904
2-methyl-3-(1-pyrazol-1-ylpropan-2-ylamino)propanoic acid
CID 61462644
5-bromo-3-methyl-N-(1-pyrazol-1-ylpropan-2-yl)pyridin-2-amine
CID 79718486
6-N-methyl-5-propan-2-yl-4-N-(1-pyrazol-1-ylpropan-2-yl)pyrimidine-4,6-diamine
CID 80808626
2-(1-pyrazol-1-ylpropan-2-ylcarbamoyl)benzoic acid
CID 60940603

Frequently Asked Questions

What is the IUPAC name of 3-(1-pyrazol-1-ylpropan-2-ylamino)pyrazine-2-carboxylic acid?
The IUPAC name of 3-(1-pyrazol-1-ylpropan-2-ylamino)pyrazine-2-carboxylic acid (CID 62709836) is 3-(1-pyrazol-1-ylpropan-2-ylamino)pyrazine-2-carboxylic acid.
What is the SMILES notation for 3-(1-pyrazol-1-ylpropan-2-ylamino)pyrazine-2-carboxylic acid?
The canonical SMILES for 3-(1-pyrazol-1-ylpropan-2-ylamino)pyrazine-2-carboxylic acid is CC(Cn1cccn1)Nc1nccnc1C(=O)O.
What is the InChIKey of 3-(1-pyrazol-1-ylpropan-2-ylamino)pyrazine-2-carboxylic acid?
The InChIKey is VXESTYHINMNOEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O2/c1-8(7-16-6-2-3-14-16)15-10-9(11(17)18)12-4-5-13-10/h2-6,8H,7H2,1H3,(H,13,15)(H,17,18).
What are the key properties of 3-(1-pyrazol-1-ylpropan-2-ylamino)pyrazine-2-carboxylic acid?
3-(1-pyrazol-1-ylpropan-2-ylamino)pyrazine-2-carboxylic acid has a molecular weight of 247.26 g/mol, XLogP of 0.87, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-pyrazol-1-ylpropan-2-ylamino)pyrazine-2-carboxylic acid is sourced from PubChem (CID 62709836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).