1-methyl-3-piperidin-3-ylpyrazole-4-carboxylic acid;dihydrochloride

C10H17Cl2N3O2 — CID 119053358

IUPAC1-methyl-3-piperidin-3-ylpyrazole-4-carboxylic acid;dihydrochloride
SMILESCl.Cl.Cn1cc(C(=O)O)c(C2CCCNC2)n1
InChIInChI=1S/C10H15N3O2.2ClH/c1-13-6-8(10(14)15)9(12-13)7-3-2-4-11-5-7;;/h6-7,11H,2-5H2,1H3,(H,14,15);2*1H
InChIKeyJIWDICWWJTYADT-UHFFFAOYSA-N
MW282.17 g/mol
LogP1.43
Rot. Bonds2

About 1-methyl-3-piperidin-3-ylpyrazole-4-carboxylic acid;dihydrochloride

1-methyl-3-piperidin-3-ylpyrazole-4-carboxylic acid;dihydrochloride (PubChem CID 119053358) has the molecular formula C10H17Cl2N3O2 and a molecular weight of 282.17 g/mol. Its IUPAC name is 1-methyl-3-piperidin-3-ylpyrazole-4-carboxylic acid;dihydrochloride.

Molecular Properties

Compound Name1-methyl-3-piperidin-3-ylpyrazole-4-carboxylic acid;dihydrochloride
PubChem CID119053358
Molecular FormulaC10H17Cl2N3O2
Molecular Weight282.17 g/mol
Exact Mass281.07
IUPAC Name1-methyl-3-piperidin-3-ylpyrazole-4-carboxylic acid;dihydrochloride
SMILESCl.Cl.Cn1cc(C(=O)O)c(C2CCCNC2)n1
InChIInChI=1S/C10H15N3O2.2ClH/c1-13-6-8(10(14)15)9(12-13)7-3-2-4-11-5-7;;/h6-7,11H,2-5H2,1H3,(H,14,15);2*1H
InChIKeyJIWDICWWJTYADT-UHFFFAOYSA-N
XLogP1.43
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.17
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-piperidin-3-ylpyrazole-4-carboxylic acid;dihydrochloride?
The IUPAC name of 1-methyl-3-piperidin-3-ylpyrazole-4-carboxylic acid;dihydrochloride (CID 119053358) is 1-methyl-3-piperidin-3-ylpyrazole-4-carboxylic acid;dihydrochloride.
What is the SMILES notation for 1-methyl-3-piperidin-3-ylpyrazole-4-carboxylic acid;dihydrochloride?
The canonical SMILES for 1-methyl-3-piperidin-3-ylpyrazole-4-carboxylic acid;dihydrochloride is Cl.Cl.Cn1cc(C(=O)O)c(C2CCCNC2)n1.
What is the InChIKey of 1-methyl-3-piperidin-3-ylpyrazole-4-carboxylic acid;dihydrochloride?
The InChIKey is JIWDICWWJTYADT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2.2ClH/c1-13-6-8(10(14)15)9(12-13)7-3-2-4-11-5-7;;/h6-7,11H,2-5H2,1H3,(H,14,15);2*1H.
What are the key properties of 1-methyl-3-piperidin-3-ylpyrazole-4-carboxylic acid;dihydrochloride?
1-methyl-3-piperidin-3-ylpyrazole-4-carboxylic acid;dihydrochloride has a molecular weight of 282.17 g/mol, XLogP of 1.43, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-piperidin-3-ylpyrazole-4-carboxylic acid;dihydrochloride is sourced from PubChem (CID 119053358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).