1-[6-(2-methylpyrazol-3-yl)pyrimidin-4-yl]piperidine-4-carboxylic acid

C14H17N5O2 — CID 168823435

IUPAC1-[6-(2-methylpyrazol-3-yl)pyrimidin-4-yl]piperidine-4-carboxylic acid
SMILESCn1nccc1-c1cc(N2CCC(C(=O)O)CC2)ncn1
InChIInChI=1S/C14H17N5O2/c1-18-12(2-5-17-18)11-8-13(16-9-15-11)19-6-3-10(4-7-19)14(20)21/h2,5,8-10H,3-4,6-7H2,1H3,(H,20,21)
InChIKeyQPUBUTVMDFZDDF-UHFFFAOYSA-N
MW287.32 g/mol
LogP1.18
Rot. Bonds3

About 1-[6-(2-methylpyrazol-3-yl)pyrimidin-4-yl]piperidine-4-carboxylic acid

1-[6-(2-methylpyrazol-3-yl)pyrimidin-4-yl]piperidine-4-carboxylic acid (PubChem CID 168823435) has the molecular formula C14H17N5O2 and a molecular weight of 287.32 g/mol. Its IUPAC name is 1-[6-(2-methylpyrazol-3-yl)pyrimidin-4-yl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[6-(2-methylpyrazol-3-yl)pyrimidin-4-yl]piperidine-4-carboxylic acid
PubChem CID168823435
Molecular FormulaC14H17N5O2
Molecular Weight287.32 g/mol
Exact Mass287.14
IUPAC Name1-[6-(2-methylpyrazol-3-yl)pyrimidin-4-yl]piperidine-4-carboxylic acid
SMILESCn1nccc1-c1cc(N2CCC(C(=O)O)CC2)ncn1
InChIInChI=1S/C14H17N5O2/c1-18-12(2-5-17-18)11-8-13(16-9-15-11)19-6-3-10(4-7-19)14(20)21/h2,5,8-10H,3-4,6-7H2,1H3,(H,20,21)
InChIKeyQPUBUTVMDFZDDF-UHFFFAOYSA-N
XLogP1.18
TPSA84.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(6-aminopyrimidin-4-yl)piperidine-4-carboxylic acid
CID 170957533
1-[6-(difluoromethyl)pyrimidin-4-yl]piperidine-4-carboxylic acid
CID 126849074
1-(6-phenylpyrimidin-4-yl)pyrrolidine-3-carboxylic acid
CID 102549329
1-(6-cyanopyrimidin-4-yl)piperidine-4-carboxylic acid
CID 137333282
3-[6-(2-methylpyrazol-3-yl)pyrimidin-4-yl]spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-amine
CID 66724803
1-[6-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrimidin-4-yl]piperidine-4-carboxylic acid
CID 113192731
1-[6-[2,6-di(propan-2-yl)anilino]pyrimidin-4-yl]piperidine-4-carboxylic acid
CID 113192822
N-phenyl-1-(6-phenylpyrimidin-4-yl)piperidine-4-carboxamide
CID 53062015
N-cyclopropyl-1-(6-phenylpyrimidin-4-yl)piperidine-4-carboxamide
CID 53005520
1-[1-(2-methylpyrazol-3-yl)ethyl]piperidine-4-carboxylic acid
CID 106758916
1-[6-(3,4-dimethylanilino)pyrimidin-4-yl]piperidine-4-carboxylic acid
CID 113192759
1-[6-(3-hydroxy-3-methylbut-1-ynyl)pyrimidin-4-yl]piperidine-4-carboxylic acid
CID 169227295

Frequently Asked Questions

What is the IUPAC name of 1-[6-(2-methylpyrazol-3-yl)pyrimidin-4-yl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[6-(2-methylpyrazol-3-yl)pyrimidin-4-yl]piperidine-4-carboxylic acid (CID 168823435) is 1-[6-(2-methylpyrazol-3-yl)pyrimidin-4-yl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[6-(2-methylpyrazol-3-yl)pyrimidin-4-yl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[6-(2-methylpyrazol-3-yl)pyrimidin-4-yl]piperidine-4-carboxylic acid is Cn1nccc1-c1cc(N2CCC(C(=O)O)CC2)ncn1.
What is the InChIKey of 1-[6-(2-methylpyrazol-3-yl)pyrimidin-4-yl]piperidine-4-carboxylic acid?
The InChIKey is QPUBUTVMDFZDDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O2/c1-18-12(2-5-17-18)11-8-13(16-9-15-11)19-6-3-10(4-7-19)14(20)21/h2,5,8-10H,3-4,6-7H2,1H3,(H,20,21).
What are the key properties of 1-[6-(2-methylpyrazol-3-yl)pyrimidin-4-yl]piperidine-4-carboxylic acid?
1-[6-(2-methylpyrazol-3-yl)pyrimidin-4-yl]piperidine-4-carboxylic acid has a molecular weight of 287.32 g/mol, XLogP of 1.18, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(2-methylpyrazol-3-yl)pyrimidin-4-yl]piperidine-4-carboxylic acid is sourced from PubChem (CID 168823435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).