5-methyl-2-(1-methylpyrazol-3-yl)pyrimidine-4-carboxylic acid

C10H10N4O2 — CID 139023953

IUPAC5-methyl-2-(1-methylpyrazol-3-yl)pyrimidine-4-carboxylic acid
SMILESCc1cnc(-c2ccn(C)n2)nc1C(=O)O
InChIInChI=1S/C10H10N4O2/c1-6-5-11-9(12-8(6)10(15)16)7-3-4-14(2)13-7/h3-5H,1-2H3,(H,15,16)
InChIKeyXSUXLXMTJANBKT-UHFFFAOYSA-N
MW218.22 g/mol
LogP0.88
Rot. Bonds2

About 5-methyl-2-(1-methylpyrazol-3-yl)pyrimidine-4-carboxylic acid

5-methyl-2-(1-methylpyrazol-3-yl)pyrimidine-4-carboxylic acid (PubChem CID 139023953) has the molecular formula C10H10N4O2 and a molecular weight of 218.22 g/mol. Its IUPAC name is 5-methyl-2-(1-methylpyrazol-3-yl)pyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name5-methyl-2-(1-methylpyrazol-3-yl)pyrimidine-4-carboxylic acid
PubChem CID139023953
Molecular FormulaC10H10N4O2
Molecular Weight218.22 g/mol
Exact Mass218.08
IUPAC Name5-methyl-2-(1-methylpyrazol-3-yl)pyrimidine-4-carboxylic acid
SMILESCc1cnc(-c2ccn(C)n2)nc1C(=O)O
InChIInChI=1S/C10H10N4O2/c1-6-5-11-9(12-8(6)10(15)16)7-3-4-14(2)13-7/h3-5H,1-2H3,(H,15,16)
InChIKeyXSUXLXMTJANBKT-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 5-methyl-2-(1-methylpyrazol-3-yl)pyrimidine-4-carboxylic acid?
The IUPAC name of 5-methyl-2-(1-methylpyrazol-3-yl)pyrimidine-4-carboxylic acid (CID 139023953) is 5-methyl-2-(1-methylpyrazol-3-yl)pyrimidine-4-carboxylic acid.
What is the SMILES notation for 5-methyl-2-(1-methylpyrazol-3-yl)pyrimidine-4-carboxylic acid?
The canonical SMILES for 5-methyl-2-(1-methylpyrazol-3-yl)pyrimidine-4-carboxylic acid is Cc1cnc(-c2ccn(C)n2)nc1C(=O)O.
What is the InChIKey of 5-methyl-2-(1-methylpyrazol-3-yl)pyrimidine-4-carboxylic acid?
The InChIKey is XSUXLXMTJANBKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O2/c1-6-5-11-9(12-8(6)10(15)16)7-3-4-14(2)13-7/h3-5H,1-2H3,(H,15,16).
What are the key properties of 5-methyl-2-(1-methylpyrazol-3-yl)pyrimidine-4-carboxylic acid?
5-methyl-2-(1-methylpyrazol-3-yl)pyrimidine-4-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 5-methyl-2-(1-methylpyrazol-3-yl)pyrimidine-4-carboxylic acid is sourced from PubChem (CID 139023953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).