4-methyl-2-[(5-methyl-1H-pyrazol-3-yl)oxy]pyrimidine-5-carboxylic acid

C10H10N4O3 — CID 83180987

IUPAC4-methyl-2-[(5-methyl-1H-pyrazol-3-yl)oxy]pyrimidine-5-carboxylic acid
SMILESCc1cc(Oc2ncc(C(=O)O)c(C)n2)n[nH]1
InChIInChI=1S/C10H10N4O3/c1-5-3-8(14-13-5)17-10-11-4-7(9(15)16)6(2)12-10/h3-4H,1-2H3,(H,13,14)(H,15,16)
InChIKeyQVLVWEXJMPBIHK-UHFFFAOYSA-N
MW234.22 g/mol
LogP1.31
Rot. Bonds3

About 4-methyl-2-[(5-methyl-1H-pyrazol-3-yl)oxy]pyrimidine-5-carboxylic acid

4-methyl-2-[(5-methyl-1H-pyrazol-3-yl)oxy]pyrimidine-5-carboxylic acid (PubChem CID 83180987) has the molecular formula C10H10N4O3 and a molecular weight of 234.22 g/mol. Its IUPAC name is 4-methyl-2-[(5-methyl-1H-pyrazol-3-yl)oxy]pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name4-methyl-2-[(5-methyl-1H-pyrazol-3-yl)oxy]pyrimidine-5-carboxylic acid
PubChem CID83180987
Molecular FormulaC10H10N4O3
Molecular Weight234.22 g/mol
Exact Mass234.08
IUPAC Name4-methyl-2-[(5-methyl-1H-pyrazol-3-yl)oxy]pyrimidine-5-carboxylic acid
SMILESCc1cc(Oc2ncc(C(=O)O)c(C)n2)n[nH]1
InChIInChI=1S/C10H10N4O3/c1-5-3-8(14-13-5)17-10-11-4-7(9(15)16)6(2)12-10/h3-4H,1-2H3,(H,13,14)(H,15,16)
InChIKeyQVLVWEXJMPBIHK-UHFFFAOYSA-N
XLogP1.31
TPSA100.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.22
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[(5-methyl-1H-pyrazol-3-yl)oxy]pyrimidine-5-carboxylic acid?
The IUPAC name of 4-methyl-2-[(5-methyl-1H-pyrazol-3-yl)oxy]pyrimidine-5-carboxylic acid (CID 83180987) is 4-methyl-2-[(5-methyl-1H-pyrazol-3-yl)oxy]pyrimidine-5-carboxylic acid.
What is the SMILES notation for 4-methyl-2-[(5-methyl-1H-pyrazol-3-yl)oxy]pyrimidine-5-carboxylic acid?
The canonical SMILES for 4-methyl-2-[(5-methyl-1H-pyrazol-3-yl)oxy]pyrimidine-5-carboxylic acid is Cc1cc(Oc2ncc(C(=O)O)c(C)n2)n[nH]1.
What is the InChIKey of 4-methyl-2-[(5-methyl-1H-pyrazol-3-yl)oxy]pyrimidine-5-carboxylic acid?
The InChIKey is QVLVWEXJMPBIHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O3/c1-5-3-8(14-13-5)17-10-11-4-7(9(15)16)6(2)12-10/h3-4H,1-2H3,(H,13,14)(H,15,16).
What are the key properties of 4-methyl-2-[(5-methyl-1H-pyrazol-3-yl)oxy]pyrimidine-5-carboxylic acid?
4-methyl-2-[(5-methyl-1H-pyrazol-3-yl)oxy]pyrimidine-5-carboxylic acid has a molecular weight of 234.22 g/mol, XLogP of 1.31, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[(5-methyl-1H-pyrazol-3-yl)oxy]pyrimidine-5-carboxylic acid is sourced from PubChem (CID 83180987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).