methyl 1-piperidin-3-ylpyrazole-3-carboxylate;hydrochloride

C10H16ClN3O2 — CID 136576395

IUPACmethyl 1-piperidin-3-ylpyrazole-3-carboxylate;hydrochloride
SMILESCOC(=O)c1ccn(C2CCCNC2)n1.Cl
InChIInChI=1S/C10H15N3O2.ClH/c1-15-10(14)9-4-6-13(12-9)8-3-2-5-11-7-8;/h4,6,8,11H,2-3,5,7H2,1H3;1H
InChIKeyCIHWLIDZPKDEOR-UHFFFAOYSA-N
MW245.71 g/mol
LogP1.02
Rot. Bonds2

About methyl 1-piperidin-3-ylpyrazole-3-carboxylate;hydrochloride

methyl 1-piperidin-3-ylpyrazole-3-carboxylate;hydrochloride (PubChem CID 136576395) has the molecular formula C10H16ClN3O2 and a molecular weight of 245.71 g/mol. Its IUPAC name is methyl 1-piperidin-3-ylpyrazole-3-carboxylate;hydrochloride.

Molecular Properties

Compound Namemethyl 1-piperidin-3-ylpyrazole-3-carboxylate;hydrochloride
PubChem CID136576395
Molecular FormulaC10H16ClN3O2
Molecular Weight245.71 g/mol
Exact Mass245.09
IUPAC Namemethyl 1-piperidin-3-ylpyrazole-3-carboxylate;hydrochloride
SMILESCOC(=O)c1ccn(C2CCCNC2)n1.Cl
InChIInChI=1S/C10H15N3O2.ClH/c1-15-10(14)9-4-6-13(12-9)8-3-2-5-11-7-8;/h4,6,8,11H,2-3,5,7H2,1H3;1H
InChIKeyCIHWLIDZPKDEOR-UHFFFAOYSA-N
XLogP1.02
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.71
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 1-piperidin-3-ylpyrazole-3-carboxylate;hydrochloride?
The IUPAC name of methyl 1-piperidin-3-ylpyrazole-3-carboxylate;hydrochloride (CID 136576395) is methyl 1-piperidin-3-ylpyrazole-3-carboxylate;hydrochloride.
What is the SMILES notation for methyl 1-piperidin-3-ylpyrazole-3-carboxylate;hydrochloride?
The canonical SMILES for methyl 1-piperidin-3-ylpyrazole-3-carboxylate;hydrochloride is COC(=O)c1ccn(C2CCCNC2)n1.Cl.
What is the InChIKey of methyl 1-piperidin-3-ylpyrazole-3-carboxylate;hydrochloride?
The InChIKey is CIHWLIDZPKDEOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2.ClH/c1-15-10(14)9-4-6-13(12-9)8-3-2-5-11-7-8;/h4,6,8,11H,2-3,5,7H2,1H3;1H.
What are the key properties of methyl 1-piperidin-3-ylpyrazole-3-carboxylate;hydrochloride?
methyl 1-piperidin-3-ylpyrazole-3-carboxylate;hydrochloride has a molecular weight of 245.71 g/mol, XLogP of 1.02, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-piperidin-3-ylpyrazole-3-carboxylate;hydrochloride is sourced from PubChem (CID 136576395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).