4-hydroxy-1-(piperidin-2-ylmethyl)pyrazole-5-carboxylic acid

C10H15N3O3 — CID 117232341

IUPAC4-hydroxy-1-(piperidin-2-ylmethyl)pyrazole-5-carboxylic acid
SMILESO=C(O)c1c(O)cnn1CC1CCCCN1
InChIInChI=1S/C10H15N3O3/c14-8-5-12-13(9(8)10(15)16)6-7-3-1-2-4-11-7/h5,7,11,14H,1-4,6H2,(H,15,16)
InChIKeyWIFCPTJPNSHBPV-UHFFFAOYSA-N
MW225.25 g/mol
LogP0.43
Rot. Bonds3

About 4-hydroxy-1-(piperidin-2-ylmethyl)pyrazole-5-carboxylic acid

4-hydroxy-1-(piperidin-2-ylmethyl)pyrazole-5-carboxylic acid (PubChem CID 117232341) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is 4-hydroxy-1-(piperidin-2-ylmethyl)pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name4-hydroxy-1-(piperidin-2-ylmethyl)pyrazole-5-carboxylic acid
PubChem CID117232341
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC Name4-hydroxy-1-(piperidin-2-ylmethyl)pyrazole-5-carboxylic acid
SMILESO=C(O)c1c(O)cnn1CC1CCCCN1
InChIInChI=1S/C10H15N3O3/c14-8-5-12-13(9(8)10(15)16)6-7-3-1-2-4-11-7/h5,7,11,14H,1-4,6H2,(H,15,16)
InChIKeyWIFCPTJPNSHBPV-UHFFFAOYSA-N
XLogP0.43
TPSA87.38 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 50.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-1-(pyrrolidin-2-ylmethyl)pyrazol-4-ol
CID 117232255
4-hydroxy-1-piperidin-2-ylpyrazole-5-carboxylic acid
CID 117232220
5-pyrrolidin-1-yl-2-(pyrrolidin-2-ylmethyl)pyridazin-3-one
CID 114395863
2-[(5-chlorotriazol-1-yl)methyl]piperidine
CID 84776015
5-methyl-2-[[(2R)-pyrrolidin-2-yl]methyl]pyridazin-3-one
CID 106548752
5-[ethyl(methyl)amino]-2-(piperidin-2-ylmethyl)pyridazin-3-one
CID 114395928
methyl 1-(piperidin-2-ylmethyl)pyrazole-4-carboxylate
CID 84735437
1-ethyl-N-[[(2S)-piperidin-2-yl]methyl]pyrazole-4-carboxamide
CID 99776064
5-fluoro-1-(piperidin-2-ylmethyl)indazole
CID 84796127
[(2S)-piperidin-2-yl]methylcarbamic acid
CID 67090489
(Z)-but-2-enedioic acid;2-(pyrrolidin-1-ylmethyl)piperidine
CID 70383224
2-[(5-cyclobutyltriazol-1-yl)methyl]piperidine
CID 115032296

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-(piperidin-2-ylmethyl)pyrazole-5-carboxylic acid?
The IUPAC name of 4-hydroxy-1-(piperidin-2-ylmethyl)pyrazole-5-carboxylic acid (CID 117232341) is 4-hydroxy-1-(piperidin-2-ylmethyl)pyrazole-5-carboxylic acid.
What is the SMILES notation for 4-hydroxy-1-(piperidin-2-ylmethyl)pyrazole-5-carboxylic acid?
The canonical SMILES for 4-hydroxy-1-(piperidin-2-ylmethyl)pyrazole-5-carboxylic acid is O=C(O)c1c(O)cnn1CC1CCCCN1.
What is the InChIKey of 4-hydroxy-1-(piperidin-2-ylmethyl)pyrazole-5-carboxylic acid?
The InChIKey is WIFCPTJPNSHBPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3/c14-8-5-12-13(9(8)10(15)16)6-7-3-1-2-4-11-7/h5,7,11,14H,1-4,6H2,(H,15,16).
What are the key properties of 4-hydroxy-1-(piperidin-2-ylmethyl)pyrazole-5-carboxylic acid?
4-hydroxy-1-(piperidin-2-ylmethyl)pyrazole-5-carboxylic acid has a molecular weight of 225.25 g/mol, XLogP of 0.43, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-(piperidin-2-ylmethyl)pyrazole-5-carboxylic acid is sourced from PubChem (CID 117232341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).