5-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]pyrazine-2-carboxylic acid

C12H15N5O2 — CID 122053579

IUPAC5-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]pyrazine-2-carboxylic acid
SMILESCc1nn(C)cc1C(C)Nc1cnc(C(=O)O)cn1
InChIInChI=1S/C12H15N5O2/c1-7(9-6-17(3)16-8(9)2)15-11-5-13-10(4-14-11)12(18)19/h4-7H,1-3H3,(H,14,15)(H,18,19)
InChIKeyXYTYHKOKWHPTON-UHFFFAOYSA-N
MW261.29 g/mol
LogP1.39
Rot. Bonds4

About 5-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]pyrazine-2-carboxylic acid

5-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]pyrazine-2-carboxylic acid (PubChem CID 122053579) has the molecular formula C12H15N5O2 and a molecular weight of 261.29 g/mol. Its IUPAC name is 5-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name5-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]pyrazine-2-carboxylic acid
PubChem CID122053579
Molecular FormulaC12H15N5O2
Molecular Weight261.29 g/mol
Exact Mass261.12
IUPAC Name5-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]pyrazine-2-carboxylic acid
SMILESCc1nn(C)cc1C(C)Nc1cnc(C(=O)O)cn1
InChIInChI=1S/C12H15N5O2/c1-7(9-6-17(3)16-8(9)2)15-11-5-13-10(4-14-11)12(18)19/h4-7H,1-3H3,(H,14,15)(H,18,19)
InChIKeyXYTYHKOKWHPTON-UHFFFAOYSA-N
XLogP1.39
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.29
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 6-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]pyridine-3-carboxylate
CID 122150645
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-1-methylpyrazol-3-amine
CID 65197071
5-[1-(3,4-dimethylphenyl)ethylamino]pyrazine-2-carboxylic acid
CID 122047926
5-[1-(1-methylpyrazol-4-yl)propan-2-ylamino]pyrazine-2-carboxylic acid
CID 122058004
5-[[1-(methylamino)-1-oxopropan-2-yl]amino]pyrazine-2-carboxylic acid
CID 107372363
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-1-methylpyrazol-4-amine
CID 65192064
4-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]phenol
CID 65197115
1-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]-2-methylpropan-2-ol
CID 65197340
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-4-methylaniline
CID 65191898
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3,5-dimethylaniline
CID 65192459
(2R)-1-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]propan-2-ol
CID 103906693
1-(1,3-dimethylpyrazol-4-yl)ethylhydrazine
CID 65196946

Frequently Asked Questions

What is the IUPAC name of 5-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]pyrazine-2-carboxylic acid?
The IUPAC name of 5-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]pyrazine-2-carboxylic acid (CID 122053579) is 5-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]pyrazine-2-carboxylic acid.
What is the SMILES notation for 5-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]pyrazine-2-carboxylic acid?
The canonical SMILES for 5-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]pyrazine-2-carboxylic acid is Cc1nn(C)cc1C(C)Nc1cnc(C(=O)O)cn1.
What is the InChIKey of 5-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]pyrazine-2-carboxylic acid?
The InChIKey is XYTYHKOKWHPTON-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O2/c1-7(9-6-17(3)16-8(9)2)15-11-5-13-10(4-14-11)12(18)19/h4-7H,1-3H3,(H,14,15)(H,18,19).
What are the key properties of 5-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]pyrazine-2-carboxylic acid?
5-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]pyrazine-2-carboxylic acid has a molecular weight of 261.29 g/mol, XLogP of 1.39, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]pyrazine-2-carboxylic acid is sourced from PubChem (CID 122053579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).