1-(4-cyano-1,3-dimethylpyrazol-5-yl)-4-ethylpiperidine-4-carboxylic acid

C14H20N4O2 — CID 63757489

IUPAC1-(4-cyano-1,3-dimethylpyrazol-5-yl)-4-ethylpiperidine-4-carboxylic acid
SMILESCCC1(C(=O)O)CCN(c2c(C#N)c(C)nn2C)CC1
InChIInChI=1S/C14H20N4O2/c1-4-14(13(19)20)5-7-18(8-6-14)12-11(9-15)10(2)16-17(12)3/h4-8H2,1-3H3,(H,19,20)
InChIKeyKJRMSNFWUCTTGL-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.68
Rot. Bonds3

About 1-(4-cyano-1,3-dimethylpyrazol-5-yl)-4-ethylpiperidine-4-carboxylic acid

1-(4-cyano-1,3-dimethylpyrazol-5-yl)-4-ethylpiperidine-4-carboxylic acid (PubChem CID 63757489) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is 1-(4-cyano-1,3-dimethylpyrazol-5-yl)-4-ethylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(4-cyano-1,3-dimethylpyrazol-5-yl)-4-ethylpiperidine-4-carboxylic acid
PubChem CID63757489
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC Name1-(4-cyano-1,3-dimethylpyrazol-5-yl)-4-ethylpiperidine-4-carboxylic acid
SMILESCCC1(C(=O)O)CCN(c2c(C#N)c(C)nn2C)CC1
InChIInChI=1S/C14H20N4O2/c1-4-14(13(19)20)5-7-18(8-6-14)12-11(9-15)10(2)16-17(12)3/h4-8H2,1-3H3,(H,19,20)
InChIKeyKJRMSNFWUCTTGL-UHFFFAOYSA-N
XLogP1.68
TPSA82.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-cyano-1,3-dimethylpyrazol-5-yl)-4-ethylpiperidine-4-carboxylic acid?
The IUPAC name of 1-(4-cyano-1,3-dimethylpyrazol-5-yl)-4-ethylpiperidine-4-carboxylic acid (CID 63757489) is 1-(4-cyano-1,3-dimethylpyrazol-5-yl)-4-ethylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-(4-cyano-1,3-dimethylpyrazol-5-yl)-4-ethylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-(4-cyano-1,3-dimethylpyrazol-5-yl)-4-ethylpiperidine-4-carboxylic acid is CCC1(C(=O)O)CCN(c2c(C#N)c(C)nn2C)CC1.
What is the InChIKey of 1-(4-cyano-1,3-dimethylpyrazol-5-yl)-4-ethylpiperidine-4-carboxylic acid?
The InChIKey is KJRMSNFWUCTTGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2/c1-4-14(13(19)20)5-7-18(8-6-14)12-11(9-15)10(2)16-17(12)3/h4-8H2,1-3H3,(H,19,20).
What are the key properties of 1-(4-cyano-1,3-dimethylpyrazol-5-yl)-4-ethylpiperidine-4-carboxylic acid?
1-(4-cyano-1,3-dimethylpyrazol-5-yl)-4-ethylpiperidine-4-carboxylic acid has a molecular weight of 276.34 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyano-1,3-dimethylpyrazol-5-yl)-4-ethylpiperidine-4-carboxylic acid is sourced from PubChem (CID 63757489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).