4-pyrazol-1-yl-1-pyrimidin-2-ylpiperidine-4-carboxylic acid

C13H15N5O2 — CID 56883365

IUPAC4-pyrazol-1-yl-1-pyrimidin-2-ylpiperidine-4-carboxylic acid
SMILESO=C(O)C1(n2cccn2)CCN(c2ncccn2)CC1
InChIInChI=1S/C13H15N5O2/c19-11(20)13(18-8-2-7-16-18)3-9-17(10-4-13)12-14-5-1-6-15-12/h1-2,5-8H,3-4,9-10H2,(H,19,20)
InChIKeyPFIJDGFNIXBWDJ-UHFFFAOYSA-N
MW273.30 g/mol
LogP0.75
Rot. Bonds3

About 4-pyrazol-1-yl-1-pyrimidin-2-ylpiperidine-4-carboxylic acid

4-pyrazol-1-yl-1-pyrimidin-2-ylpiperidine-4-carboxylic acid (PubChem CID 56883365) has the molecular formula C13H15N5O2 and a molecular weight of 273.30 g/mol. Its IUPAC name is 4-pyrazol-1-yl-1-pyrimidin-2-ylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-pyrazol-1-yl-1-pyrimidin-2-ylpiperidine-4-carboxylic acid
PubChem CID56883365
Molecular FormulaC13H15N5O2
Molecular Weight273.30 g/mol
Exact Mass273.12
IUPAC Name4-pyrazol-1-yl-1-pyrimidin-2-ylpiperidine-4-carboxylic acid
SMILESO=C(O)C1(n2cccn2)CCN(c2ncccn2)CC1
InChIInChI=1S/C13H15N5O2/c19-11(20)13(18-8-2-7-16-18)3-9-17(10-4-13)12-14-5-1-6-15-12/h1-2,5-8H,3-4,9-10H2,(H,19,20)
InChIKeyPFIJDGFNIXBWDJ-UHFFFAOYSA-N
XLogP0.75
TPSA84.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-methyl-6-(1H-pyrazol-1-yl)pyrimidin-4-yl]-4-(1H-pyrazol-1-yl)piperidine-4-carboxylic acid
CID 56912577
1-(5-Fluoro-4-pyrazol-1-ylpyrimidin-2-yl)piperidine-4-carboxylic acid
CID 172581508
1-(5-fluoropyrimidin-2-yl)-4-(1H-imidazol-1-yl)piperidine-4-carboxylic acid
CID 56910367
1-[5-Fluoro-4-(methylamino)pyrimidin-2-yl]-4-pyrazol-1-ylpiperidine-4-carboxylic acid
CID 70731285
4-(4-methyl-1H-pyrazol-1-yl)-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carboxylic acid
CID 70732256
1-(6-(1H-1,2,4-triazol-1-yl)pyrimidin-4-yl)piperidine-4-carboxylic acid
CID 76145133
3-(4-Pyrazol-1-ylpyrimidin-2-yl)propanoic acid
CID 23546002
2-Pyrazol-1-yl-5-(4-pyrimidin-2-ylpiperazin-1-yl)pentanoic acid
CID 140983432
4-Methyl-1-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]piperidine-4-carboxylic acid
CID 152268396
4-Methyl-1-[2-[methyl-(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]piperidine-4-carboxylic acid
CID 156315503
1-[6-(3-Methyl-1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxylic acid
CID 168823423
1-[6-(5-Methyl-1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxylic acid
CID 168823452

Frequently Asked Questions

What is the IUPAC name of 4-pyrazol-1-yl-1-pyrimidin-2-ylpiperidine-4-carboxylic acid?
The IUPAC name of 4-pyrazol-1-yl-1-pyrimidin-2-ylpiperidine-4-carboxylic acid (CID 56883365) is 4-pyrazol-1-yl-1-pyrimidin-2-ylpiperidine-4-carboxylic acid.
What is the SMILES notation for 4-pyrazol-1-yl-1-pyrimidin-2-ylpiperidine-4-carboxylic acid?
The canonical SMILES for 4-pyrazol-1-yl-1-pyrimidin-2-ylpiperidine-4-carboxylic acid is O=C(O)C1(n2cccn2)CCN(c2ncccn2)CC1.
What is the InChIKey of 4-pyrazol-1-yl-1-pyrimidin-2-ylpiperidine-4-carboxylic acid?
The InChIKey is PFIJDGFNIXBWDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O2/c19-11(20)13(18-8-2-7-16-18)3-9-17(10-4-13)12-14-5-1-6-15-12/h1-2,5-8H,3-4,9-10H2,(H,19,20).
What are the key properties of 4-pyrazol-1-yl-1-pyrimidin-2-ylpiperidine-4-carboxylic acid?
4-pyrazol-1-yl-1-pyrimidin-2-ylpiperidine-4-carboxylic acid has a molecular weight of 273.30 g/mol, XLogP of 0.75, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyrazol-1-yl-1-pyrimidin-2-ylpiperidine-4-carboxylic acid is sourced from PubChem (CID 56883365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).