5-[(1,3-ditert-butylpyrazol-5-yl)carbamoyl]pyrazine-2-carboxylic acid

C17H23N5O3 — CID 167921765

IUPAC5-[(1,3-ditert-butylpyrazol-5-yl)carbamoyl]pyrazine-2-carboxylic acid
SMILESCC(C)(C)c1cc(NC(=O)c2cnc(C(=O)O)cn2)n(C(C)(C)C)n1
InChIInChI=1S/C17H23N5O3/c1-16(2,3)12-7-13(22(21-12)17(4,5)6)20-14(23)10-8-19-11(9-18-10)15(24)25/h7-9H,1-6H3,(H,20,23)(H,24,25)
InChIKeyDBFKQRIQCXYFEV-UHFFFAOYSA-N
MW345.40 g/mol
LogP2.68
Rot. Bonds3

About 5-[(1,3-ditert-butylpyrazol-5-yl)carbamoyl]pyrazine-2-carboxylic acid

5-[(1,3-ditert-butylpyrazol-5-yl)carbamoyl]pyrazine-2-carboxylic acid (PubChem CID 167921765) has the molecular formula C17H23N5O3 and a molecular weight of 345.40 g/mol. Its IUPAC name is 5-[(1,3-ditert-butylpyrazol-5-yl)carbamoyl]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name5-[(1,3-ditert-butylpyrazol-5-yl)carbamoyl]pyrazine-2-carboxylic acid
PubChem CID167921765
Molecular FormulaC17H23N5O3
Molecular Weight345.40 g/mol
Exact Mass345.18
IUPAC Name5-[(1,3-ditert-butylpyrazol-5-yl)carbamoyl]pyrazine-2-carboxylic acid
SMILESCC(C)(C)c1cc(NC(=O)c2cnc(C(=O)O)cn2)n(C(C)(C)C)n1
InChIInChI=1S/C17H23N5O3/c1-16(2,3)12-7-13(22(21-12)17(4,5)6)20-14(23)10-8-19-11(9-18-10)15(24)25/h7-9H,1-6H3,(H,20,23)(H,24,25)
InChIKeyDBFKQRIQCXYFEV-UHFFFAOYSA-N
XLogP2.68
TPSA110.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-amino-N-(1,3-ditert-butylpyrazol-5-yl)-2-methylbenzamide;hydrochloride
CID 120625352
1-(1,3-ditert-butylpyrazol-5-yl)-3-(4-methylphenyl)urea
CID 770901
1-[(1,3-ditert-butylpyrazol-5-yl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 122079262
5-[(4-tert-butylphenyl)carbamoyl]pyrazine-2-carboxylic acid
CID 120684723
N-(1,3-ditert-butylpyrazol-5-yl)-1,3-dihydro-2-benzofuran-5-carboxamide
CID 56800503
N-(1,3-ditert-butylpyrazol-5-yl)-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119747423
1-[(1,3-ditert-butylpyrazol-5-yl)carbamoyl]piperidine-3-carboxylic acid
CID 122079257
1-(1,3-ditert-butylpyrazol-5-yl)-3-(4-hydroxy-2-methylbutan-2-yl)urea
CID 111754869
1-(1,3-ditert-butylpyrazol-5-yl)-3-[1-(hydroxymethyl)cyclopentyl]urea
CID 111926302
trans-(1S,2S)-N-(1,3-ditert-butylpyrazol-5-yl)-2-nitrocyclopropane-1-carboxamide
CID 95174335
1-(1,3-ditert-butylpyrazol-5-yl)-3-(4-propan-2-ylphenyl)urea
CID 42731468
N-(1,3-ditert-butylpyrazol-5-yl)-2-[ethyl(ethylcarbamoyl)amino]acetamide
CID 42733927

Frequently Asked Questions

What is the IUPAC name of 5-[(1,3-ditert-butylpyrazol-5-yl)carbamoyl]pyrazine-2-carboxylic acid?
The IUPAC name of 5-[(1,3-ditert-butylpyrazol-5-yl)carbamoyl]pyrazine-2-carboxylic acid (CID 167921765) is 5-[(1,3-ditert-butylpyrazol-5-yl)carbamoyl]pyrazine-2-carboxylic acid.
What is the SMILES notation for 5-[(1,3-ditert-butylpyrazol-5-yl)carbamoyl]pyrazine-2-carboxylic acid?
The canonical SMILES for 5-[(1,3-ditert-butylpyrazol-5-yl)carbamoyl]pyrazine-2-carboxylic acid is CC(C)(C)c1cc(NC(=O)c2cnc(C(=O)O)cn2)n(C(C)(C)C)n1.
What is the InChIKey of 5-[(1,3-ditert-butylpyrazol-5-yl)carbamoyl]pyrazine-2-carboxylic acid?
The InChIKey is DBFKQRIQCXYFEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O3/c1-16(2,3)12-7-13(22(21-12)17(4,5)6)20-14(23)10-8-19-11(9-18-10)15(24)25/h7-9H,1-6H3,(H,20,23)(H,24,25).
What are the key properties of 5-[(1,3-ditert-butylpyrazol-5-yl)carbamoyl]pyrazine-2-carboxylic acid?
5-[(1,3-ditert-butylpyrazol-5-yl)carbamoyl]pyrazine-2-carboxylic acid has a molecular weight of 345.40 g/mol, XLogP of 2.68, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1,3-ditert-butylpyrazol-5-yl)carbamoyl]pyrazine-2-carboxylic acid is sourced from PubChem (CID 167921765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).