1-[2-(1,4-dimethylpyrazol-5-yl)-5-fluoropyrimidin-4-yl]piperidine-4-carboxylic acid

C15H18FN5O2 — CID 170783080

IUPAC1-[2-(1,4-dimethylpyrazol-5-yl)-5-fluoropyrimidin-4-yl]piperidine-4-carboxylic acid
SMILESCc1cnn(C)c1-c1ncc(F)c(N2CCC(C(=O)O)CC2)n1
InChIInChI=1S/C15H18FN5O2/c1-9-7-18-20(2)12(9)13-17-8-11(16)14(19-13)21-5-3-10(4-6-21)15(22)23/h7-8,10H,3-6H2,1-2H3,(H,22,23)
InChIKeyPJWZPDUJPCVKGJ-UHFFFAOYSA-N
MW319.34 g/mol
LogP1.63
Rot. Bonds3

About 1-[2-(1,4-dimethylpyrazol-5-yl)-5-fluoropyrimidin-4-yl]piperidine-4-carboxylic acid

1-[2-(1,4-dimethylpyrazol-5-yl)-5-fluoropyrimidin-4-yl]piperidine-4-carboxylic acid (PubChem CID 170783080) has the molecular formula C15H18FN5O2 and a molecular weight of 319.34 g/mol. Its IUPAC name is 1-[2-(1,4-dimethylpyrazol-5-yl)-5-fluoropyrimidin-4-yl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-(1,4-dimethylpyrazol-5-yl)-5-fluoropyrimidin-4-yl]piperidine-4-carboxylic acid
PubChem CID170783080
Molecular FormulaC15H18FN5O2
Molecular Weight319.34 g/mol
Exact Mass319.14
IUPAC Name1-[2-(1,4-dimethylpyrazol-5-yl)-5-fluoropyrimidin-4-yl]piperidine-4-carboxylic acid
SMILESCc1cnn(C)c1-c1ncc(F)c(N2CCC(C(=O)O)CC2)n1
InChIInChI=1S/C15H18FN5O2/c1-9-7-18-20(2)12(9)13-17-8-11(16)14(19-13)21-5-3-10(4-6-21)15(22)23/h7-8,10H,3-6H2,1-2H3,(H,22,23)
InChIKeyPJWZPDUJPCVKGJ-UHFFFAOYSA-N
XLogP1.63
TPSA84.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.34
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(1,4-dimethylpyrazol-5-yl)-5-fluoropyrimidin-4-yl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[2-(1,4-dimethylpyrazol-5-yl)-5-fluoropyrimidin-4-yl]piperidine-4-carboxylic acid (CID 170783080) is 1-[2-(1,4-dimethylpyrazol-5-yl)-5-fluoropyrimidin-4-yl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[2-(1,4-dimethylpyrazol-5-yl)-5-fluoropyrimidin-4-yl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[2-(1,4-dimethylpyrazol-5-yl)-5-fluoropyrimidin-4-yl]piperidine-4-carboxylic acid is Cc1cnn(C)c1-c1ncc(F)c(N2CCC(C(=O)O)CC2)n1.
What is the InChIKey of 1-[2-(1,4-dimethylpyrazol-5-yl)-5-fluoropyrimidin-4-yl]piperidine-4-carboxylic acid?
The InChIKey is PJWZPDUJPCVKGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN5O2/c1-9-7-18-20(2)12(9)13-17-8-11(16)14(19-13)21-5-3-10(4-6-21)15(22)23/h7-8,10H,3-6H2,1-2H3,(H,22,23).
What are the key properties of 1-[2-(1,4-dimethylpyrazol-5-yl)-5-fluoropyrimidin-4-yl]piperidine-4-carboxylic acid?
1-[2-(1,4-dimethylpyrazol-5-yl)-5-fluoropyrimidin-4-yl]piperidine-4-carboxylic acid has a molecular weight of 319.34 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1,4-dimethylpyrazol-5-yl)-5-fluoropyrimidin-4-yl]piperidine-4-carboxylic acid is sourced from PubChem (CID 170783080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).