4-(3-tert-butylpyrazol-1-yl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxylic acid

C19H27N5O2 — CID 56888482

IUPAC4-(3-tert-butylpyrazol-1-yl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxylic acid
SMILESCc1cc(C)nc(N2CCC(C(=O)O)(n3ccc(C(C)(C)C)n3)CC2)n1
InChIInChI=1S/C19H27N5O2/c1-13-12-14(2)21-17(20-13)23-10-7-19(8-11-23,16(25)26)24-9-6-15(22-24)18(3,4)5/h6,9,12H,7-8,10-11H2,1-5H3,(H,25,26)
InChIKeyICUZXTBOTUVTOL-UHFFFAOYSA-N
MW357.46 g/mol
LogP2.67
Rot. Bonds3

About 4-(3-tert-butylpyrazol-1-yl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxylic acid

4-(3-tert-butylpyrazol-1-yl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxylic acid (PubChem CID 56888482) has the molecular formula C19H27N5O2 and a molecular weight of 357.46 g/mol. Its IUPAC name is 4-(3-tert-butylpyrazol-1-yl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-(3-tert-butylpyrazol-1-yl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxylic acid
PubChem CID56888482
Molecular FormulaC19H27N5O2
Molecular Weight357.46 g/mol
Exact Mass357.22
IUPAC Name4-(3-tert-butylpyrazol-1-yl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxylic acid
SMILESCc1cc(C)nc(N2CCC(C(=O)O)(n3ccc(C(C)(C)C)n3)CC2)n1
InChIInChI=1S/C19H27N5O2/c1-13-12-14(2)21-17(20-13)23-10-7-19(8-11-23,16(25)26)24-9-6-15(22-24)18(3,4)5/h6,9,12H,7-8,10-11H2,1-5H3,(H,25,26)
InChIKeyICUZXTBOTUVTOL-UHFFFAOYSA-N
XLogP2.67
TPSA84.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.46
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(3-tert-butylpyrazol-1-yl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxylic acid?
The IUPAC name of 4-(3-tert-butylpyrazol-1-yl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxylic acid (CID 56888482) is 4-(3-tert-butylpyrazol-1-yl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxylic acid.
What is the SMILES notation for 4-(3-tert-butylpyrazol-1-yl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxylic acid?
The canonical SMILES for 4-(3-tert-butylpyrazol-1-yl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxylic acid is Cc1cc(C)nc(N2CCC(C(=O)O)(n3ccc(C(C)(C)C)n3)CC2)n1.
What is the InChIKey of 4-(3-tert-butylpyrazol-1-yl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxylic acid?
The InChIKey is ICUZXTBOTUVTOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O2/c1-13-12-14(2)21-17(20-13)23-10-7-19(8-11-23,16(25)26)24-9-6-15(22-24)18(3,4)5/h6,9,12H,7-8,10-11H2,1-5H3,(H,25,26).
What are the key properties of 4-(3-tert-butylpyrazol-1-yl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxylic acid?
4-(3-tert-butylpyrazol-1-yl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxylic acid has a molecular weight of 357.46 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-tert-butylpyrazol-1-yl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxylic acid is sourced from PubChem (CID 56888482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).