4-[2-(2-deuteriopropan-2-yl)pyrazol-3-yl]pyrimidine-5-carboxylic acid

C11H12N4O2 — CID 153446052

IUPAC4-[2-(2-deuteriopropan-2-yl)pyrazol-3-yl]pyrimidine-5-carboxylic acid
SMILES[2H]C(C)(C)n1nccc1-c1ncncc1C(=O)O
InChIInChI=1S/C11H12N4O2/c1-7(2)15-9(3-4-14-15)10-8(11(16)17)5-12-6-13-10/h3-7H,1-2H3,(H,16,17)/i7D
InChIKeyDXSNOVYEWXSUGY-WHRKIXHSSA-N
MW233.25 g/mol
LogP1.62
Rot. Bonds3

About 4-[2-(2-deuteriopropan-2-yl)pyrazol-3-yl]pyrimidine-5-carboxylic acid

4-[2-(2-deuteriopropan-2-yl)pyrazol-3-yl]pyrimidine-5-carboxylic acid (PubChem CID 153446052) has the molecular formula C11H12N4O2 and a molecular weight of 233.25 g/mol. Its IUPAC name is 4-[2-(2-deuteriopropan-2-yl)pyrazol-3-yl]pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name4-[2-(2-deuteriopropan-2-yl)pyrazol-3-yl]pyrimidine-5-carboxylic acid
PubChem CID153446052
Molecular FormulaC11H12N4O2
Molecular Weight233.25 g/mol
Exact Mass233.10
IUPAC Name4-[2-(2-deuteriopropan-2-yl)pyrazol-3-yl]pyrimidine-5-carboxylic acid
SMILES[2H]C(C)(C)n1nccc1-c1ncncc1C(=O)O
InChIInChI=1S/C11H12N4O2/c1-7(2)15-9(3-4-14-15)10-8(11(16)17)5-12-6-13-10/h3-7H,1-2H3,(H,16,17)/i7D
InChIKeyDXSNOVYEWXSUGY-WHRKIXHSSA-N
XLogP1.62
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.25
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-deuteriopropan-2-yl)pyrazol-3-yl]pyrimidine-5-carboxylic acid?
The IUPAC name of 4-[2-(2-deuteriopropan-2-yl)pyrazol-3-yl]pyrimidine-5-carboxylic acid (CID 153446052) is 4-[2-(2-deuteriopropan-2-yl)pyrazol-3-yl]pyrimidine-5-carboxylic acid.
What is the SMILES notation for 4-[2-(2-deuteriopropan-2-yl)pyrazol-3-yl]pyrimidine-5-carboxylic acid?
The canonical SMILES for 4-[2-(2-deuteriopropan-2-yl)pyrazol-3-yl]pyrimidine-5-carboxylic acid is [2H]C(C)(C)n1nccc1-c1ncncc1C(=O)O.
What is the InChIKey of 4-[2-(2-deuteriopropan-2-yl)pyrazol-3-yl]pyrimidine-5-carboxylic acid?
The InChIKey is DXSNOVYEWXSUGY-WHRKIXHSSA-N. The full InChI is InChI=1S/C11H12N4O2/c1-7(2)15-9(3-4-14-15)10-8(11(16)17)5-12-6-13-10/h3-7H,1-2H3,(H,16,17)/i7D.
What are the key properties of 4-[2-(2-deuteriopropan-2-yl)pyrazol-3-yl]pyrimidine-5-carboxylic acid?
4-[2-(2-deuteriopropan-2-yl)pyrazol-3-yl]pyrimidine-5-carboxylic acid has a molecular weight of 233.25 g/mol, XLogP of 1.62, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-deuteriopropan-2-yl)pyrazol-3-yl]pyrimidine-5-carboxylic acid is sourced from PubChem (CID 153446052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).