ethyl 1-piperidin-4-ylpyrazole-4-carboxylate;hydrochloride

C11H18ClN3O2 — CID 119057109

IUPACethyl 1-piperidin-4-ylpyrazole-4-carboxylate;hydrochloride
SMILESCCOC(=O)c1cnn(C2CCNCC2)c1.Cl
InChIInChI=1S/C11H17N3O2.ClH/c1-2-16-11(15)9-7-13-14(8-9)10-3-5-12-6-4-10;/h7-8,10,12H,2-6H2,1H3;1H
InChIKeyWXGNVCMYUVWGTH-UHFFFAOYSA-N
MW259.74 g/mol
LogP1.41
Rot. Bonds3

About ethyl 1-piperidin-4-ylpyrazole-4-carboxylate;hydrochloride

ethyl 1-piperidin-4-ylpyrazole-4-carboxylate;hydrochloride (PubChem CID 119057109) has the molecular formula C11H18ClN3O2 and a molecular weight of 259.74 g/mol. Its IUPAC name is ethyl 1-piperidin-4-ylpyrazole-4-carboxylate;hydrochloride.

Molecular Properties

Compound Nameethyl 1-piperidin-4-ylpyrazole-4-carboxylate;hydrochloride
PubChem CID119057109
Molecular FormulaC11H18ClN3O2
Molecular Weight259.74 g/mol
Exact Mass259.11
IUPAC Nameethyl 1-piperidin-4-ylpyrazole-4-carboxylate;hydrochloride
SMILESCCOC(=O)c1cnn(C2CCNCC2)c1.Cl
InChIInChI=1S/C11H17N3O2.ClH/c1-2-16-11(15)9-7-13-14(8-9)10-3-5-12-6-4-10;/h7-8,10,12H,2-6H2,1H3;1H
InChIKeyWXGNVCMYUVWGTH-UHFFFAOYSA-N
XLogP1.41
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.74
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 1-methyl-1H-pyrazole-4-carboxylate
CID 11116265
1-(piperidin-3-yl)-1H-pyrazole-4-carboxylic acid hydrochloride
CID 75425888
ethyl 1-cyclobutyl-1H-pyrazole-4-carboxylate
CID 141184163
Methyl 1-(2-(cyclopentylamino)-2-oxoethyl)-1H-pyrazole-4-carboxylate
CID 25247501
[1-(2,2,2-Trifluoroethyl)piperidin-4-yl] 1-methylpyrazole-4-carboxylate
CID 72110052
ethyl 1-(piperidin-4-yl)-1H-pyrazole-4-carboxylate
CID 59261059
Ethyl 5-amino-1-(3-fluoropiperidin-4-yl)pyrazole-4-carboxylate
CID 67950400
Ethyl 1-(2-fluoroethyl)-1H-pyrazole-4-carboxylate
CID 68380001
ethyl 1-[(Z)-2-(dimethylamino)-3-(fluoromethylamino)prop-2-enyl]pyrazole-4-carboxylate
CID 139498796
methyl 1-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]pyrazole-4-carboxylate
CID 154637415
Methyl 1-[2-(aminomethyl)-3-fluoroprop-2-enyl]pyrazole-4-carboxylate
CID 154983822
Ethyl 1-(3,3-difluoropiperidin-4-yl)pyrazole-4-carboxylate;hydrochloride
CID 155194457

Frequently Asked Questions

What is the IUPAC name of ethyl 1-piperidin-4-ylpyrazole-4-carboxylate;hydrochloride?
The IUPAC name of ethyl 1-piperidin-4-ylpyrazole-4-carboxylate;hydrochloride (CID 119057109) is ethyl 1-piperidin-4-ylpyrazole-4-carboxylate;hydrochloride.
What is the SMILES notation for ethyl 1-piperidin-4-ylpyrazole-4-carboxylate;hydrochloride?
The canonical SMILES for ethyl 1-piperidin-4-ylpyrazole-4-carboxylate;hydrochloride is CCOC(=O)c1cnn(C2CCNCC2)c1.Cl.
What is the InChIKey of ethyl 1-piperidin-4-ylpyrazole-4-carboxylate;hydrochloride?
The InChIKey is WXGNVCMYUVWGTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2.ClH/c1-2-16-11(15)9-7-13-14(8-9)10-3-5-12-6-4-10;/h7-8,10,12H,2-6H2,1H3;1H.
What are the key properties of ethyl 1-piperidin-4-ylpyrazole-4-carboxylate;hydrochloride?
ethyl 1-piperidin-4-ylpyrazole-4-carboxylate;hydrochloride has a molecular weight of 259.74 g/mol, XLogP of 1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-piperidin-4-ylpyrazole-4-carboxylate;hydrochloride is sourced from PubChem (CID 119057109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).