4-[(4-amino-3,5-dimethylpyrazol-1-yl)methyl]piperidine-1-carboxylic acid

C12H20N4O2 — CID 174816097

IUPAC4-[(4-amino-3,5-dimethylpyrazol-1-yl)methyl]piperidine-1-carboxylic acid
SMILESCc1nn(CC2CCN(C(=O)O)CC2)c(C)c1N
InChIInChI=1S/C12H20N4O2/c1-8-11(13)9(2)16(14-8)7-10-3-5-15(6-4-10)12(17)18/h10H,3-7,13H2,1-2H3,(H,17,18)
InChIKeyKFXJFNHTGGHSFR-UHFFFAOYSA-N
MW252.32 g/mol
LogP1.47
Rot. Bonds2

About 4-[(4-amino-3,5-dimethylpyrazol-1-yl)methyl]piperidine-1-carboxylic acid

4-[(4-amino-3,5-dimethylpyrazol-1-yl)methyl]piperidine-1-carboxylic acid (PubChem CID 174816097) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 4-[(4-amino-3,5-dimethylpyrazol-1-yl)methyl]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-[(4-amino-3,5-dimethylpyrazol-1-yl)methyl]piperidine-1-carboxylic acid
PubChem CID174816097
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name4-[(4-amino-3,5-dimethylpyrazol-1-yl)methyl]piperidine-1-carboxylic acid
SMILESCc1nn(CC2CCN(C(=O)O)CC2)c(C)c1N
InChIInChI=1S/C12H20N4O2/c1-8-11(13)9(2)16(14-8)7-10-3-5-15(6-4-10)12(17)18/h10H,3-7,13H2,1-2H3,(H,17,18)
InChIKeyKFXJFNHTGGHSFR-UHFFFAOYSA-N
XLogP1.47
TPSA84.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-amino-3,5-dimethylpyrazol-1-yl)methyl]piperidine-1-carboxylic acid?
The IUPAC name of 4-[(4-amino-3,5-dimethylpyrazol-1-yl)methyl]piperidine-1-carboxylic acid (CID 174816097) is 4-[(4-amino-3,5-dimethylpyrazol-1-yl)methyl]piperidine-1-carboxylic acid.
What is the SMILES notation for 4-[(4-amino-3,5-dimethylpyrazol-1-yl)methyl]piperidine-1-carboxylic acid?
The canonical SMILES for 4-[(4-amino-3,5-dimethylpyrazol-1-yl)methyl]piperidine-1-carboxylic acid is Cc1nn(CC2CCN(C(=O)O)CC2)c(C)c1N.
What is the InChIKey of 4-[(4-amino-3,5-dimethylpyrazol-1-yl)methyl]piperidine-1-carboxylic acid?
The InChIKey is KFXJFNHTGGHSFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-8-11(13)9(2)16(14-8)7-10-3-5-15(6-4-10)12(17)18/h10H,3-7,13H2,1-2H3,(H,17,18).
What are the key properties of 4-[(4-amino-3,5-dimethylpyrazol-1-yl)methyl]piperidine-1-carboxylic acid?
4-[(4-amino-3,5-dimethylpyrazol-1-yl)methyl]piperidine-1-carboxylic acid has a molecular weight of 252.32 g/mol, XLogP of 1.47, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-amino-3,5-dimethylpyrazol-1-yl)methyl]piperidine-1-carboxylic acid is sourced from PubChem (CID 174816097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).