1-piperidin-3-ylpyrazole-4-carboxylic acid;hydrochloride

C9H14ClN3O2 — CID 75425888

IUPAC1-piperidin-3-ylpyrazole-4-carboxylic acid;hydrochloride
SMILESCl.O=C(O)c1cnn(C2CCCNC2)c1
InChIInChI=1S/C9H13N3O2.ClH/c13-9(14)7-4-11-12(6-7)8-2-1-3-10-5-8;/h4,6,8,10H,1-3,5H2,(H,13,14);1H
InChIKeyLGGMWIBMDGLKIQ-UHFFFAOYSA-N
MW231.68 g/mol
LogP0.93
Rot. Bonds2

About 1-piperidin-3-ylpyrazole-4-carboxylic acid;hydrochloride

1-piperidin-3-ylpyrazole-4-carboxylic acid;hydrochloride (PubChem CID 75425888) has the molecular formula C9H14ClN3O2 and a molecular weight of 231.68 g/mol. Its IUPAC name is 1-piperidin-3-ylpyrazole-4-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name1-piperidin-3-ylpyrazole-4-carboxylic acid;hydrochloride
PubChem CID75425888
Molecular FormulaC9H14ClN3O2
Molecular Weight231.68 g/mol
Exact Mass231.08
IUPAC Name1-piperidin-3-ylpyrazole-4-carboxylic acid;hydrochloride
SMILESCl.O=C(O)c1cnn(C2CCCNC2)c1
InChIInChI=1S/C9H13N3O2.ClH/c13-9(14)7-4-11-12(6-7)8-2-1-3-10-5-8;/h4,6,8,10H,1-3,5H2,(H,13,14);1H
InChIKeyLGGMWIBMDGLKIQ-UHFFFAOYSA-N
XLogP0.93
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.68
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(propan-2-yl)-1H-pyrazole-4-carboxylic acid
CID 784155
1-cyclopentyl-1H-pyrazole-4-carboxylic acid
CID 19620020
1-cyclohexyl-1H-pyrazole-4-carboxylic acid
CID 51491571
1-cyclobutyl-1H-pyrazole-4-carboxylic acid
CID 56604618
1-(oxan-4-yl)-1H-pyrazole-4-carboxylic acid
CID 56604619
1-(1-((tert-butoxy)carbonyl)piperidin-3-yl)-1H-pyrazole-4-carboxylic acid
CID 71255768
ethyl 1-(piperidin-4-yl)-1H-pyrazole-4-carboxylate hydrochloride
CID 119057109
1-(cyclobutylmethyl)-1H-pyrazole-4-carboxylic acid
CID 56604617
1-(2-(dimethylamino)ethyl)-1H-pyrazole-4-carboxylic acid hydrochloride
CID 121553477
1-[2-(Dimethylamino)ethyl]-1H-pyrazole-4-carboxylic acid
CID 43565333
ethyl 1-(piperidin-4-yl)-1H-pyrazole-4-carboxylate
CID 59261059
1-(3-Fluorocyclopentyl)-1H-pyrazole-4-carboxylic acid
CID 84733603

Frequently Asked Questions

What is the IUPAC name of 1-piperidin-3-ylpyrazole-4-carboxylic acid;hydrochloride?
The IUPAC name of 1-piperidin-3-ylpyrazole-4-carboxylic acid;hydrochloride (CID 75425888) is 1-piperidin-3-ylpyrazole-4-carboxylic acid;hydrochloride.
What is the SMILES notation for 1-piperidin-3-ylpyrazole-4-carboxylic acid;hydrochloride?
The canonical SMILES for 1-piperidin-3-ylpyrazole-4-carboxylic acid;hydrochloride is Cl.O=C(O)c1cnn(C2CCCNC2)c1.
What is the InChIKey of 1-piperidin-3-ylpyrazole-4-carboxylic acid;hydrochloride?
The InChIKey is LGGMWIBMDGLKIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2.ClH/c13-9(14)7-4-11-12(6-7)8-2-1-3-10-5-8;/h4,6,8,10H,1-3,5H2,(H,13,14);1H.
What are the key properties of 1-piperidin-3-ylpyrazole-4-carboxylic acid;hydrochloride?
1-piperidin-3-ylpyrazole-4-carboxylic acid;hydrochloride has a molecular weight of 231.68 g/mol, XLogP of 0.93, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-3-ylpyrazole-4-carboxylic acid;hydrochloride is sourced from PubChem (CID 75425888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).