1-(3-methoxypyrazin-2-yl)-4-pyrazol-1-ylpiperidine-4-carboxylic acid

C14H17N5O3 — CID 56897273

IUPAC1-(3-methoxypyrazin-2-yl)-4-pyrazol-1-ylpiperidine-4-carboxylic acid
SMILESCOc1nccnc1N1CCC(C(=O)O)(n2cccn2)CC1
InChIInChI=1S/C14H17N5O3/c1-22-12-11(15-6-7-16-12)18-9-3-14(4-10-18,13(20)21)19-8-2-5-17-19/h2,5-8H,3-4,9-10H2,1H3,(H,20,21)
InChIKeyMHBUWNZJOWAKIL-UHFFFAOYSA-N
MW303.32 g/mol
LogP0.76
Rot. Bonds4

About 1-(3-methoxypyrazin-2-yl)-4-pyrazol-1-ylpiperidine-4-carboxylic acid

1-(3-methoxypyrazin-2-yl)-4-pyrazol-1-ylpiperidine-4-carboxylic acid (PubChem CID 56897273) has the molecular formula C14H17N5O3 and a molecular weight of 303.32 g/mol. Its IUPAC name is 1-(3-methoxypyrazin-2-yl)-4-pyrazol-1-ylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(3-methoxypyrazin-2-yl)-4-pyrazol-1-ylpiperidine-4-carboxylic acid
PubChem CID56897273
Molecular FormulaC14H17N5O3
Molecular Weight303.32 g/mol
Exact Mass303.13
IUPAC Name1-(3-methoxypyrazin-2-yl)-4-pyrazol-1-ylpiperidine-4-carboxylic acid
SMILESCOc1nccnc1N1CCC(C(=O)O)(n2cccn2)CC1
InChIInChI=1S/C14H17N5O3/c1-22-12-11(15-6-7-16-12)18-9-3-14(4-10-18,13(20)21)19-8-2-5-17-19/h2,5-8H,3-4,9-10H2,1H3,(H,20,21)
InChIKeyMHBUWNZJOWAKIL-UHFFFAOYSA-N
XLogP0.76
TPSA93.37 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxypyrazin-2-yl)-4-pyrazol-1-ylpiperidine-4-carboxylic acid?
The IUPAC name of 1-(3-methoxypyrazin-2-yl)-4-pyrazol-1-ylpiperidine-4-carboxylic acid (CID 56897273) is 1-(3-methoxypyrazin-2-yl)-4-pyrazol-1-ylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-(3-methoxypyrazin-2-yl)-4-pyrazol-1-ylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-(3-methoxypyrazin-2-yl)-4-pyrazol-1-ylpiperidine-4-carboxylic acid is COc1nccnc1N1CCC(C(=O)O)(n2cccn2)CC1.
What is the InChIKey of 1-(3-methoxypyrazin-2-yl)-4-pyrazol-1-ylpiperidine-4-carboxylic acid?
The InChIKey is MHBUWNZJOWAKIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O3/c1-22-12-11(15-6-7-16-12)18-9-3-14(4-10-18,13(20)21)19-8-2-5-17-19/h2,5-8H,3-4,9-10H2,1H3,(H,20,21).
What are the key properties of 1-(3-methoxypyrazin-2-yl)-4-pyrazol-1-ylpiperidine-4-carboxylic acid?
1-(3-methoxypyrazin-2-yl)-4-pyrazol-1-ylpiperidine-4-carboxylic acid has a molecular weight of 303.32 g/mol, XLogP of 0.76, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxypyrazin-2-yl)-4-pyrazol-1-ylpiperidine-4-carboxylic acid is sourced from PubChem (CID 56897273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).