(3R)-3-[2-(3-phenylpyrazol-1-yl)ethyl]piperazine-1-carboxylic acid

C16H20N4O2 — CID 68985579

IUPAC(3R)-3-[2-(3-phenylpyrazol-1-yl)ethyl]piperazine-1-carboxylic acid
SMILESO=C(O)N1CCN[C@H](CCn2ccc(-c3ccccc3)n2)C1
InChIInChI=1S/C16H20N4O2/c21-16(22)19-11-8-17-14(12-19)6-9-20-10-7-15(18-20)13-4-2-1-3-5-13/h1-5,7,10,14,17H,6,8-9,11-12H2,(H,21,22)/t14-/m1/s1
InChIKeyXRJQKUQEUIZYII-CQSZACIVSA-N
MW300.36 g/mol
LogP1.89
Rot. Bonds4

About (3R)-3-[2-(3-phenylpyrazol-1-yl)ethyl]piperazine-1-carboxylic acid

(3R)-3-[2-(3-phenylpyrazol-1-yl)ethyl]piperazine-1-carboxylic acid (PubChem CID 68985579) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is (3R)-3-[2-(3-phenylpyrazol-1-yl)ethyl]piperazine-1-carboxylic acid.

Molecular Properties

Compound Name(3R)-3-[2-(3-phenylpyrazol-1-yl)ethyl]piperazine-1-carboxylic acid
PubChem CID68985579
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Name(3R)-3-[2-(3-phenylpyrazol-1-yl)ethyl]piperazine-1-carboxylic acid
SMILESO=C(O)N1CCN[C@H](CCn2ccc(-c3ccccc3)n2)C1
InChIInChI=1S/C16H20N4O2/c21-16(22)19-11-8-17-14(12-19)6-9-20-10-7-15(18-20)13-4-2-1-3-5-13/h1-5,7,10,14,17H,6,8-9,11-12H2,(H,21,22)/t14-/m1/s1
InChIKeyXRJQKUQEUIZYII-CQSZACIVSA-N
XLogP1.89
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-[2-(3-phenylpyrazol-1-yl)ethyl]piperazine-1-carboxylic acid?
The IUPAC name of (3R)-3-[2-(3-phenylpyrazol-1-yl)ethyl]piperazine-1-carboxylic acid (CID 68985579) is (3R)-3-[2-(3-phenylpyrazol-1-yl)ethyl]piperazine-1-carboxylic acid.
What is the SMILES notation for (3R)-3-[2-(3-phenylpyrazol-1-yl)ethyl]piperazine-1-carboxylic acid?
The canonical SMILES for (3R)-3-[2-(3-phenylpyrazol-1-yl)ethyl]piperazine-1-carboxylic acid is O=C(O)N1CCN[C@H](CCn2ccc(-c3ccccc3)n2)C1.
What is the InChIKey of (3R)-3-[2-(3-phenylpyrazol-1-yl)ethyl]piperazine-1-carboxylic acid?
The InChIKey is XRJQKUQEUIZYII-CQSZACIVSA-N. The full InChI is InChI=1S/C16H20N4O2/c21-16(22)19-11-8-17-14(12-19)6-9-20-10-7-15(18-20)13-4-2-1-3-5-13/h1-5,7,10,14,17H,6,8-9,11-12H2,(H,21,22)/t14-/m1/s1.
What are the key properties of (3R)-3-[2-(3-phenylpyrazol-1-yl)ethyl]piperazine-1-carboxylic acid?
(3R)-3-[2-(3-phenylpyrazol-1-yl)ethyl]piperazine-1-carboxylic acid has a molecular weight of 300.36 g/mol, XLogP of 1.89, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[2-(3-phenylpyrazol-1-yl)ethyl]piperazine-1-carboxylic acid is sourced from PubChem (CID 68985579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).