4-[1-[4-(aminomethyl)phenyl]pyrazol-3-yl]piperidine-1-carboxylic acid

C16H20N4O2 — CID 129140009

IUPAC4-[1-[4-(aminomethyl)phenyl]pyrazol-3-yl]piperidine-1-carboxylic acid
SMILESNCc1ccc(-n2ccc(C3CCN(C(=O)O)CC3)n2)cc1
InChIInChI=1S/C16H20N4O2/c17-11-12-1-3-14(4-2-12)20-10-7-15(18-20)13-5-8-19(9-6-13)16(21)22/h1-4,7,10,13H,5-6,8-9,11,17H2,(H,21,22)
InChIKeyMZFZDXWRGFDSES-UHFFFAOYSA-N
MW300.36 g/mol
LogP2.19
Rot. Bonds3

About 4-[1-[4-(aminomethyl)phenyl]pyrazol-3-yl]piperidine-1-carboxylic acid

4-[1-[4-(aminomethyl)phenyl]pyrazol-3-yl]piperidine-1-carboxylic acid (PubChem CID 129140009) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is 4-[1-[4-(aminomethyl)phenyl]pyrazol-3-yl]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-[1-[4-(aminomethyl)phenyl]pyrazol-3-yl]piperidine-1-carboxylic acid
PubChem CID129140009
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Name4-[1-[4-(aminomethyl)phenyl]pyrazol-3-yl]piperidine-1-carboxylic acid
SMILESNCc1ccc(-n2ccc(C3CCN(C(=O)O)CC3)n2)cc1
InChIInChI=1S/C16H20N4O2/c17-11-12-1-3-14(4-2-12)20-10-7-15(18-20)13-5-8-19(9-6-13)16(21)22/h1-4,7,10,13H,5-6,8-9,11,17H2,(H,21,22)
InChIKeyMZFZDXWRGFDSES-UHFFFAOYSA-N
XLogP2.19
TPSA84.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[1-[4-(aminomethyl)phenyl]pyrazol-3-yl]piperidine-1-carboxylic acid?
The IUPAC name of 4-[1-[4-(aminomethyl)phenyl]pyrazol-3-yl]piperidine-1-carboxylic acid (CID 129140009) is 4-[1-[4-(aminomethyl)phenyl]pyrazol-3-yl]piperidine-1-carboxylic acid.
What is the SMILES notation for 4-[1-[4-(aminomethyl)phenyl]pyrazol-3-yl]piperidine-1-carboxylic acid?
The canonical SMILES for 4-[1-[4-(aminomethyl)phenyl]pyrazol-3-yl]piperidine-1-carboxylic acid is NCc1ccc(-n2ccc(C3CCN(C(=O)O)CC3)n2)cc1.
What is the InChIKey of 4-[1-[4-(aminomethyl)phenyl]pyrazol-3-yl]piperidine-1-carboxylic acid?
The InChIKey is MZFZDXWRGFDSES-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c17-11-12-1-3-14(4-2-12)20-10-7-15(18-20)13-5-8-19(9-6-13)16(21)22/h1-4,7,10,13H,5-6,8-9,11,17H2,(H,21,22).
What are the key properties of 4-[1-[4-(aminomethyl)phenyl]pyrazol-3-yl]piperidine-1-carboxylic acid?
4-[1-[4-(aminomethyl)phenyl]pyrazol-3-yl]piperidine-1-carboxylic acid has a molecular weight of 300.36 g/mol, XLogP of 2.19, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[4-(aminomethyl)phenyl]pyrazol-3-yl]piperidine-1-carboxylic acid is sourced from PubChem (CID 129140009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).