1-(2-phenyl-6-propan-2-ylpyrimidin-4-yl)pyrazole-3-carboxylic acid

C17H16N4O2 — CID 56767680

IUPAC1-(2-phenyl-6-propan-2-ylpyrimidin-4-yl)pyrazole-3-carboxylic acid
SMILESCC(C)c1cc(-n2ccc(C(=O)O)n2)nc(-c2ccccc2)n1
InChIInChI=1S/C17H16N4O2/c1-11(2)14-10-15(21-9-8-13(20-21)17(22)23)19-16(18-14)12-6-4-3-5-7-12/h3-11H,1-2H3,(H,22,23)
InChIKeyQFXWTRPADKMJLA-UHFFFAOYSA-N
MW308.34 g/mol
LogP3.15
Rot. Bonds4

About 1-(2-phenyl-6-propan-2-ylpyrimidin-4-yl)pyrazole-3-carboxylic acid

1-(2-phenyl-6-propan-2-ylpyrimidin-4-yl)pyrazole-3-carboxylic acid (PubChem CID 56767680) has the molecular formula C17H16N4O2 and a molecular weight of 308.34 g/mol. Its IUPAC name is 1-(2-phenyl-6-propan-2-ylpyrimidin-4-yl)pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name1-(2-phenyl-6-propan-2-ylpyrimidin-4-yl)pyrazole-3-carboxylic acid
PubChem CID56767680
Molecular FormulaC17H16N4O2
Molecular Weight308.34 g/mol
Exact Mass308.13
IUPAC Name1-(2-phenyl-6-propan-2-ylpyrimidin-4-yl)pyrazole-3-carboxylic acid
SMILESCC(C)c1cc(-n2ccc(C(=O)O)n2)nc(-c2ccccc2)n1
InChIInChI=1S/C17H16N4O2/c1-11(2)14-10-15(21-9-8-13(20-21)17(22)23)19-16(18-14)12-6-4-3-5-7-12/h3-11H,1-2H3,(H,22,23)
InChIKeyQFXWTRPADKMJLA-UHFFFAOYSA-N
XLogP3.15
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-phenyl-6-pyridin-2-ylpyrimidin-4-yl)pyrazole-3-carboxylic acid
CID 56767679
1-[2-(4-fluorophenyl)-6-propan-2-ylpyrimidin-4-yl]imidazole-4-carboxylic acid
CID 56767648
1-[6-(methoxymethyl)-2-(4-methylphenyl)pyrimidin-4-yl]pyrazole-3-carboxylic acid
CID 56767688
1-(6-propyl-2-pyridin-3-ylpyrimidin-4-yl)pyrazole-3-carboxylic acid
CID 56767729
ethane;1-phenylpyrazole-3-carboxylic acid
CID 177006873
1-(2-anilino-6-ethylpyrimidin-4-yl)pyrazole-3-carboxylic acid
CID 71564298
1-(2-pyrazin-2-yl-6-pyridin-4-ylpyrimidin-4-yl)pyrazole-3-carboxylic acid
CID 56767734
6-(1-hydroxybutyl)-2-phenylpyrimidine-4-carboxylic acid
CID 67462209
2-propan-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid
CID 105457173
1-[2-(3-chlorophenyl)-5,6-dimethylpyrimidin-4-yl]pyrazole-3-carboxylic acid
CID 56767748
2-(3-propan-2-ylpyrazol-1-yl)quinoline-4-carbonitrile
CID 63885085
N-methyl-6-(3-methylpyrazol-1-yl)-2-phenylpyrimidin-4-amine
CID 115915799

Frequently Asked Questions

What is the IUPAC name of 1-(2-phenyl-6-propan-2-ylpyrimidin-4-yl)pyrazole-3-carboxylic acid?
The IUPAC name of 1-(2-phenyl-6-propan-2-ylpyrimidin-4-yl)pyrazole-3-carboxylic acid (CID 56767680) is 1-(2-phenyl-6-propan-2-ylpyrimidin-4-yl)pyrazole-3-carboxylic acid.
What is the SMILES notation for 1-(2-phenyl-6-propan-2-ylpyrimidin-4-yl)pyrazole-3-carboxylic acid?
The canonical SMILES for 1-(2-phenyl-6-propan-2-ylpyrimidin-4-yl)pyrazole-3-carboxylic acid is CC(C)c1cc(-n2ccc(C(=O)O)n2)nc(-c2ccccc2)n1.
What is the InChIKey of 1-(2-phenyl-6-propan-2-ylpyrimidin-4-yl)pyrazole-3-carboxylic acid?
The InChIKey is QFXWTRPADKMJLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2/c1-11(2)14-10-15(21-9-8-13(20-21)17(22)23)19-16(18-14)12-6-4-3-5-7-12/h3-11H,1-2H3,(H,22,23).
What are the key properties of 1-(2-phenyl-6-propan-2-ylpyrimidin-4-yl)pyrazole-3-carboxylic acid?
1-(2-phenyl-6-propan-2-ylpyrimidin-4-yl)pyrazole-3-carboxylic acid has a molecular weight of 308.34 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenyl-6-propan-2-ylpyrimidin-4-yl)pyrazole-3-carboxylic acid is sourced from PubChem (CID 56767680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).