3-(pyrazol-1-ylmethyl)piperidine-1-carboxylic acid

C10H15N3O2 — CID 135149499

IUPAC3-(pyrazol-1-ylmethyl)piperidine-1-carboxylic acid
SMILESO=C(O)N1CCCC(Cn2cccn2)C1
InChIInChI=1S/C10H15N3O2/c14-10(15)12-5-1-3-9(7-12)8-13-6-2-4-11-13/h2,4,6,9H,1,3,5,7-8H2,(H,14,15)
InChIKeyCCRUNDZRBDVMNX-UHFFFAOYSA-N
MW209.25 g/mol
LogP1.27
Rot. Bonds2

About 3-(pyrazol-1-ylmethyl)piperidine-1-carboxylic acid

3-(pyrazol-1-ylmethyl)piperidine-1-carboxylic acid (PubChem CID 135149499) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is 3-(pyrazol-1-ylmethyl)piperidine-1-carboxylic acid.

Molecular Properties

Compound Name3-(pyrazol-1-ylmethyl)piperidine-1-carboxylic acid
PubChem CID135149499
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name3-(pyrazol-1-ylmethyl)piperidine-1-carboxylic acid
SMILESO=C(O)N1CCCC(Cn2cccn2)C1
InChIInChI=1S/C10H15N3O2/c14-10(15)12-5-1-3-9(7-12)8-13-6-2-4-11-13/h2,4,6,9H,1,3,5,7-8H2,(H,14,15)
InChIKeyCCRUNDZRBDVMNX-UHFFFAOYSA-N
XLogP1.27
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(4-aminopyrazol-1-yl)methyl]piperidine-1-carboxylic acid
CID 123848146
3-(2-pyrazol-1-ylethyl)azetidine-1-carboxylic acid
CID 151886257
1-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]ethanone
CID 52906688
1-(3-aminopiperidin-1-yl)-2-pyrazol-1-ylethanone;dihydrochloride
CID 119380216
cyclobutyl-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone
CID 90495103
3-(bromomethyl)piperidine-1-carboxylic acid
CID 57165302
3-(hydroxymethyl)-N-(3-pyrazol-1-ylpropyl)piperidine-1-carboxamide
CID 110895928
3-(piperazin-1-ylmethyl)piperidine-1-carboxylic acid
CID 68707014
(3R)-3-(2-hydroxyethyl)piperidine-1-carboxylic acid
CID 69075758
3-(ethylaminomethyl)piperidine-1-carboxylic acid
CID 146302928
1-piperidin-1-yl-3-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]propan-1-one
CID 95323418
tert-butyl 3-(pyrazol-1-ylmethyl)azetidine-1-carboxylate
CID 67979283

Frequently Asked Questions

What is the IUPAC name of 3-(pyrazol-1-ylmethyl)piperidine-1-carboxylic acid?
The IUPAC name of 3-(pyrazol-1-ylmethyl)piperidine-1-carboxylic acid (CID 135149499) is 3-(pyrazol-1-ylmethyl)piperidine-1-carboxylic acid.
What is the SMILES notation for 3-(pyrazol-1-ylmethyl)piperidine-1-carboxylic acid?
The canonical SMILES for 3-(pyrazol-1-ylmethyl)piperidine-1-carboxylic acid is O=C(O)N1CCCC(Cn2cccn2)C1.
What is the InChIKey of 3-(pyrazol-1-ylmethyl)piperidine-1-carboxylic acid?
The InChIKey is CCRUNDZRBDVMNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c14-10(15)12-5-1-3-9(7-12)8-13-6-2-4-11-13/h2,4,6,9H,1,3,5,7-8H2,(H,14,15).
What are the key properties of 3-(pyrazol-1-ylmethyl)piperidine-1-carboxylic acid?
3-(pyrazol-1-ylmethyl)piperidine-1-carboxylic acid has a molecular weight of 209.25 g/mol, XLogP of 1.27, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(pyrazol-1-ylmethyl)piperidine-1-carboxylic acid is sourced from PubChem (CID 135149499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).