1-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)-4-pyrazol-1-ylpiperidine-4-carboxylic acid

C17H19N7O2 — CID 56912577

IUPAC1-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)-4-pyrazol-1-ylpiperidine-4-carboxylic acid
SMILESCc1nc(N2CCC(C(=O)O)(n3cccn3)CC2)cc(-n2cccn2)n1
InChIInChI=1S/C17H19N7O2/c1-13-20-14(12-15(21-13)23-8-2-6-18-23)22-10-4-17(5-11-22,16(25)26)24-9-3-7-19-24/h2-3,6-9,12H,4-5,10-11H2,1H3,(H,25,26)
InChIKeySDKHRXJRLUACJJ-UHFFFAOYSA-N
MW353.39 g/mol
LogP1.25
Rot. Bonds4

About 1-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)-4-pyrazol-1-ylpiperidine-4-carboxylic acid

1-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)-4-pyrazol-1-ylpiperidine-4-carboxylic acid (PubChem CID 56912577) has the molecular formula C17H19N7O2 and a molecular weight of 353.39 g/mol. Its IUPAC name is 1-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)-4-pyrazol-1-ylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)-4-pyrazol-1-ylpiperidine-4-carboxylic acid
PubChem CID56912577
Molecular FormulaC17H19N7O2
Molecular Weight353.39 g/mol
Exact Mass353.16
IUPAC Name1-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)-4-pyrazol-1-ylpiperidine-4-carboxylic acid
SMILESCc1nc(N2CCC(C(=O)O)(n3cccn3)CC2)cc(-n2cccn2)n1
InChIInChI=1S/C17H19N7O2/c1-13-20-14(12-15(21-13)23-8-2-6-18-23)22-10-4-17(5-11-22,16(25)26)24-9-3-7-19-24/h2-3,6-9,12H,4-5,10-11H2,1H3,(H,25,26)
InChIKeySDKHRXJRLUACJJ-UHFFFAOYSA-N
XLogP1.25
TPSA101.96 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.39
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)-4-pyrazol-1-ylpiperidine-4-carboxylic acid?
The IUPAC name of 1-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)-4-pyrazol-1-ylpiperidine-4-carboxylic acid (CID 56912577) is 1-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)-4-pyrazol-1-ylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)-4-pyrazol-1-ylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)-4-pyrazol-1-ylpiperidine-4-carboxylic acid is Cc1nc(N2CCC(C(=O)O)(n3cccn3)CC2)cc(-n2cccn2)n1.
What is the InChIKey of 1-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)-4-pyrazol-1-ylpiperidine-4-carboxylic acid?
The InChIKey is SDKHRXJRLUACJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N7O2/c1-13-20-14(12-15(21-13)23-8-2-6-18-23)22-10-4-17(5-11-22,16(25)26)24-9-3-7-19-24/h2-3,6-9,12H,4-5,10-11H2,1H3,(H,25,26).
What are the key properties of 1-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)-4-pyrazol-1-ylpiperidine-4-carboxylic acid?
1-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)-4-pyrazol-1-ylpiperidine-4-carboxylic acid has a molecular weight of 353.39 g/mol, XLogP of 1.25, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)-4-pyrazol-1-ylpiperidine-4-carboxylic acid is sourced from PubChem (CID 56912577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).