2-(1-ethylpiperidin-3-yl)pyrazole-3-carboxylic acid

C11H17N3O2 — CID 105480601

IUPAC2-(1-ethylpiperidin-3-yl)pyrazole-3-carboxylic acid
SMILESCCN1CCCC(n2nccc2C(=O)O)C1
InChIInChI=1S/C11H17N3O2/c1-2-13-7-3-4-9(8-13)14-10(11(15)16)5-6-12-14/h5-6,9H,2-4,7-8H2,1H3,(H,15,16)
InChIKeySMPRCTSNGCBLSB-UHFFFAOYSA-N
MW223.28 g/mol
LogP1.24
Rot. Bonds3

About 2-(1-ethylpiperidin-3-yl)pyrazole-3-carboxylic acid

2-(1-ethylpiperidin-3-yl)pyrazole-3-carboxylic acid (PubChem CID 105480601) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 2-(1-ethylpiperidin-3-yl)pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name2-(1-ethylpiperidin-3-yl)pyrazole-3-carboxylic acid
PubChem CID105480601
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name2-(1-ethylpiperidin-3-yl)pyrazole-3-carboxylic acid
SMILESCCN1CCCC(n2nccc2C(=O)O)C1
InChIInChI=1S/C11H17N3O2/c1-2-13-7-3-4-9(8-13)14-10(11(15)16)5-6-12-14/h5-6,9H,2-4,7-8H2,1H3,(H,15,16)
InChIKeySMPRCTSNGCBLSB-UHFFFAOYSA-N
XLogP1.24
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-1-(1-ethylpiperidin-3-yl)pyrrole-2-carboxylic acid
CID 114604375
2-(3,3-difluorocyclohexyl)pyrazole-3-carboxylic acid
CID 84736128
2-[2-(1-ethylpyrrolidin-3-yl)pyrazol-3-yl]-N-methylpropan-1-amine
CID 105498249
2-(1-ethylpyrrolidin-3-yl)pyrazole-3-carbonitrile
CID 105444431
2-[(4-ethylmorpholin-2-yl)methyl]pyrazole-3-carboxylic acid
CID 79172074
2-(1-ethylpiperidin-3-yl)-5-fluoroindazole-7-carboxamide
CID 24968124
1-(1-ethylpiperidin-3-yl)-2-methylbenzimidazole-5-carboxylic acid
CID 61478085
3-[(1-ethylpiperidin-3-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-5-carboxylic acid
CID 117142712
4-(1-ethylpiperidin-3-yl)-5-oxomorpholine-2-carboxylic acid
CID 115102972
2-(1-ethylpiperidin-3-yl)-1,3-oxazole-5-carboxylic acid
CID 115085637
2-(1-ethylpiperidin-3-yl)isoindole-1,3-dione
CID 21405570
4-chloro-3-(1-ethylpiperidin-3-yl)-2H-thiadiazole;oxalic acid
CID 67924787

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethylpiperidin-3-yl)pyrazole-3-carboxylic acid?
The IUPAC name of 2-(1-ethylpiperidin-3-yl)pyrazole-3-carboxylic acid (CID 105480601) is 2-(1-ethylpiperidin-3-yl)pyrazole-3-carboxylic acid.
What is the SMILES notation for 2-(1-ethylpiperidin-3-yl)pyrazole-3-carboxylic acid?
The canonical SMILES for 2-(1-ethylpiperidin-3-yl)pyrazole-3-carboxylic acid is CCN1CCCC(n2nccc2C(=O)O)C1.
What is the InChIKey of 2-(1-ethylpiperidin-3-yl)pyrazole-3-carboxylic acid?
The InChIKey is SMPRCTSNGCBLSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-2-13-7-3-4-9(8-13)14-10(11(15)16)5-6-12-14/h5-6,9H,2-4,7-8H2,1H3,(H,15,16).
What are the key properties of 2-(1-ethylpiperidin-3-yl)pyrazole-3-carboxylic acid?
2-(1-ethylpiperidin-3-yl)pyrazole-3-carboxylic acid has a molecular weight of 223.28 g/mol, XLogP of 1.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethylpiperidin-3-yl)pyrazole-3-carboxylic acid is sourced from PubChem (CID 105480601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).