5-(3-ethylpiperidin-1-yl)-1,3-dimethylpyrazole-4-carboxylic acid

C13H21N3O2 — CID 43584669

IUPAC5-(3-ethylpiperidin-1-yl)-1,3-dimethylpyrazole-4-carboxylic acid
SMILESCCC1CCCN(c2c(C(=O)O)c(C)nn2C)C1
InChIInChI=1S/C13H21N3O2/c1-4-10-6-5-7-16(8-10)12-11(13(17)18)9(2)14-15(12)3/h10H,4-8H2,1-3H3,(H,17,18)
InChIKeyUUHKFURSRFMRBV-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.05
Rot. Bonds3

About 5-(3-ethylpiperidin-1-yl)-1,3-dimethylpyrazole-4-carboxylic acid

5-(3-ethylpiperidin-1-yl)-1,3-dimethylpyrazole-4-carboxylic acid (PubChem CID 43584669) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 5-(3-ethylpiperidin-1-yl)-1,3-dimethylpyrazole-4-carboxylic acid.

Molecular Properties

Compound Name5-(3-ethylpiperidin-1-yl)-1,3-dimethylpyrazole-4-carboxylic acid
PubChem CID43584669
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name5-(3-ethylpiperidin-1-yl)-1,3-dimethylpyrazole-4-carboxylic acid
SMILESCCC1CCCN(c2c(C(=O)O)c(C)nn2C)C1
InChIInChI=1S/C13H21N3O2/c1-4-10-6-5-7-16(8-10)12-11(13(17)18)9(2)14-15(12)3/h10H,4-8H2,1-3H3,(H,17,18)
InChIKeyUUHKFURSRFMRBV-UHFFFAOYSA-N
XLogP2.05
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(3-ethylpiperidin-1-yl)-N'-hydroxy-1,3-dimethylpyrazole-4-carboximidamide
CID 55242512
5-(3-ethylpiperidin-1-yl)-1,3-dimethylpyrazol-4-amine
CID 43584190
1,3-dimethyl-5-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyrazole-4-carboxylic acid
CID 63170699
1-(4-carbamoyl-1,3-dimethylpyrazol-5-yl)piperidine-3-carboxylic acid
CID 63756447
[1-[4-(aminomethyl)-1,3-dimethylpyrazol-5-yl]piperidin-3-yl]methanol
CID 43590482
3-ethyl-1-(3-ethyl-1-methyl-4-nitropyrazol-5-yl)piperidine
CID 133440986
5-(3-azaspiro[5.5]undecan-3-yl)-1,3-dimethylpyrazole-4-carboxylic acid
CID 62936896
1-(4-carbamothioyl-1,3-dimethylpyrazol-5-yl)-N-methylpiperidine-3-carboxamide
CID 103195947
5-(3-hydroxypiperidin-1-yl)-1,3-dimethylpyrazole-4-carbothioamide
CID 63756175
2-[1-(3-ethyl-1-methyl-4-nitropyrazol-5-yl)piperidin-3-yl]acetic acid
CID 66015149
2-[1-[1,3-dimethyl-4-(methylaminomethyl)pyrazol-5-yl]piperidin-3-yl]ethanol
CID 107228127
3-[1-(4-cyano-1,3-dimethylpyrazol-5-yl)piperidin-3-yl]butanoic acid
CID 81048188

Frequently Asked Questions

What is the IUPAC name of 5-(3-ethylpiperidin-1-yl)-1,3-dimethylpyrazole-4-carboxylic acid?
The IUPAC name of 5-(3-ethylpiperidin-1-yl)-1,3-dimethylpyrazole-4-carboxylic acid (CID 43584669) is 5-(3-ethylpiperidin-1-yl)-1,3-dimethylpyrazole-4-carboxylic acid.
What is the SMILES notation for 5-(3-ethylpiperidin-1-yl)-1,3-dimethylpyrazole-4-carboxylic acid?
The canonical SMILES for 5-(3-ethylpiperidin-1-yl)-1,3-dimethylpyrazole-4-carboxylic acid is CCC1CCCN(c2c(C(=O)O)c(C)nn2C)C1.
What is the InChIKey of 5-(3-ethylpiperidin-1-yl)-1,3-dimethylpyrazole-4-carboxylic acid?
The InChIKey is UUHKFURSRFMRBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-4-10-6-5-7-16(8-10)12-11(13(17)18)9(2)14-15(12)3/h10H,4-8H2,1-3H3,(H,17,18).
What are the key properties of 5-(3-ethylpiperidin-1-yl)-1,3-dimethylpyrazole-4-carboxylic acid?
5-(3-ethylpiperidin-1-yl)-1,3-dimethylpyrazole-4-carboxylic acid has a molecular weight of 251.33 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-ethylpiperidin-1-yl)-1,3-dimethylpyrazole-4-carboxylic acid is sourced from PubChem (CID 43584669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).