5-(3,5-dimethylpyrazol-1-yl)-2-propan-2-ylpyrimidine-4-carboxylic acid

C13H16N4O2 — CID 62085597

IUPAC5-(3,5-dimethylpyrazol-1-yl)-2-propan-2-ylpyrimidine-4-carboxylic acid
SMILESCc1cc(C)n(-c2cnc(C(C)C)nc2C(=O)O)n1
InChIInChI=1S/C13H16N4O2/c1-7(2)12-14-6-10(11(15-12)13(18)19)17-9(4)5-8(3)16-17/h5-7H,1-4H3,(H,18,19)
InChIKeyFHKXNXXELSHYMN-UHFFFAOYSA-N
MW260.30 g/mol
LogP2.10
Rot. Bonds3

About 5-(3,5-dimethylpyrazol-1-yl)-2-propan-2-ylpyrimidine-4-carboxylic acid

5-(3,5-dimethylpyrazol-1-yl)-2-propan-2-ylpyrimidine-4-carboxylic acid (PubChem CID 62085597) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is 5-(3,5-dimethylpyrazol-1-yl)-2-propan-2-ylpyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name5-(3,5-dimethylpyrazol-1-yl)-2-propan-2-ylpyrimidine-4-carboxylic acid
PubChem CID62085597
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC Name5-(3,5-dimethylpyrazol-1-yl)-2-propan-2-ylpyrimidine-4-carboxylic acid
SMILESCc1cc(C)n(-c2cnc(C(C)C)nc2C(=O)O)n1
InChIInChI=1S/C13H16N4O2/c1-7(2)12-14-6-10(11(15-12)13(18)19)17-9(4)5-8(3)16-17/h5-7H,1-4H3,(H,18,19)
InChIKeyFHKXNXXELSHYMN-UHFFFAOYSA-N
XLogP2.10
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(3,5-dimethylpyrazol-1-yl)-2-propan-2-ylpyrimidine-4-carboxylic acid?
The IUPAC name of 5-(3,5-dimethylpyrazol-1-yl)-2-propan-2-ylpyrimidine-4-carboxylic acid (CID 62085597) is 5-(3,5-dimethylpyrazol-1-yl)-2-propan-2-ylpyrimidine-4-carboxylic acid.
What is the SMILES notation for 5-(3,5-dimethylpyrazol-1-yl)-2-propan-2-ylpyrimidine-4-carboxylic acid?
The canonical SMILES for 5-(3,5-dimethylpyrazol-1-yl)-2-propan-2-ylpyrimidine-4-carboxylic acid is Cc1cc(C)n(-c2cnc(C(C)C)nc2C(=O)O)n1.
What is the InChIKey of 5-(3,5-dimethylpyrazol-1-yl)-2-propan-2-ylpyrimidine-4-carboxylic acid?
The InChIKey is FHKXNXXELSHYMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c1-7(2)12-14-6-10(11(15-12)13(18)19)17-9(4)5-8(3)16-17/h5-7H,1-4H3,(H,18,19).
What are the key properties of 5-(3,5-dimethylpyrazol-1-yl)-2-propan-2-ylpyrimidine-4-carboxylic acid?
5-(3,5-dimethylpyrazol-1-yl)-2-propan-2-ylpyrimidine-4-carboxylic acid has a molecular weight of 260.30 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-dimethylpyrazol-1-yl)-2-propan-2-ylpyrimidine-4-carboxylic acid is sourced from PubChem (CID 62085597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).