1-methyl-4-(3-methylpyrazin-2-yl)pyrazole-5-carboxylic acid

C10H10N4O2 — CID 90383381

IUPAC1-methyl-4-(3-methylpyrazin-2-yl)pyrazole-5-carboxylic acid
SMILESCc1nccnc1-c1cnn(C)c1C(=O)O
InChIInChI=1S/C10H10N4O2/c1-6-8(12-4-3-11-6)7-5-13-14(2)9(7)10(15)16/h3-5H,1-2H3,(H,15,16)
InChIKeyBYGUWXDHONOJDZ-UHFFFAOYSA-N
MW218.22 g/mol
LogP0.88
Rot. Bonds2

About 1-methyl-4-(3-methylpyrazin-2-yl)pyrazole-5-carboxylic acid

1-methyl-4-(3-methylpyrazin-2-yl)pyrazole-5-carboxylic acid (PubChem CID 90383381) has the molecular formula C10H10N4O2 and a molecular weight of 218.22 g/mol. Its IUPAC name is 1-methyl-4-(3-methylpyrazin-2-yl)pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name1-methyl-4-(3-methylpyrazin-2-yl)pyrazole-5-carboxylic acid
PubChem CID90383381
Molecular FormulaC10H10N4O2
Molecular Weight218.22 g/mol
Exact Mass218.08
IUPAC Name1-methyl-4-(3-methylpyrazin-2-yl)pyrazole-5-carboxylic acid
SMILESCc1nccnc1-c1cnn(C)c1C(=O)O
InChIInChI=1S/C10H10N4O2/c1-6-8(12-4-3-11-6)7-5-13-14(2)9(7)10(15)16/h3-5H,1-2H3,(H,15,16)
InChIKeyBYGUWXDHONOJDZ-UHFFFAOYSA-N
XLogP0.88
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.22
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(3-methylpyrazin-2-yl)pyrazole-5-carboxylic acid?
The IUPAC name of 1-methyl-4-(3-methylpyrazin-2-yl)pyrazole-5-carboxylic acid (CID 90383381) is 1-methyl-4-(3-methylpyrazin-2-yl)pyrazole-5-carboxylic acid.
What is the SMILES notation for 1-methyl-4-(3-methylpyrazin-2-yl)pyrazole-5-carboxylic acid?
The canonical SMILES for 1-methyl-4-(3-methylpyrazin-2-yl)pyrazole-5-carboxylic acid is Cc1nccnc1-c1cnn(C)c1C(=O)O.
What is the InChIKey of 1-methyl-4-(3-methylpyrazin-2-yl)pyrazole-5-carboxylic acid?
The InChIKey is BYGUWXDHONOJDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O2/c1-6-8(12-4-3-11-6)7-5-13-14(2)9(7)10(15)16/h3-5H,1-2H3,(H,15,16).
What are the key properties of 1-methyl-4-(3-methylpyrazin-2-yl)pyrazole-5-carboxylic acid?
1-methyl-4-(3-methylpyrazin-2-yl)pyrazole-5-carboxylic acid has a molecular weight of 218.22 g/mol, XLogP of 0.88, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(3-methylpyrazin-2-yl)pyrazole-5-carboxylic acid is sourced from PubChem (CID 90383381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).