3-(pyrazol-1-ylmethyl)oxolane-2-carboxylic acid;hydrochloride

C9H13ClN2O3 — CID 122235478

IUPAC3-(pyrazol-1-ylmethyl)oxolane-2-carboxylic acid;hydrochloride
SMILESCl.O=C(O)C1OCCC1Cn1cccn1
InChIInChI=1S/C9H12N2O3.ClH/c12-9(13)8-7(2-5-14-8)6-11-4-1-3-10-11;/h1,3-4,7-8H,2,5-6H2,(H,12,13);1H
InChIKeyCWPTWYDPYNNZEZ-UHFFFAOYSA-N
MW232.67 g/mol
LogP0.79
Rot. Bonds3

About 3-(pyrazol-1-ylmethyl)oxolane-2-carboxylic acid;hydrochloride

3-(pyrazol-1-ylmethyl)oxolane-2-carboxylic acid;hydrochloride (PubChem CID 122235478) has the molecular formula C9H13ClN2O3 and a molecular weight of 232.67 g/mol. Its IUPAC name is 3-(pyrazol-1-ylmethyl)oxolane-2-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name3-(pyrazol-1-ylmethyl)oxolane-2-carboxylic acid;hydrochloride
PubChem CID122235478
Molecular FormulaC9H13ClN2O3
Molecular Weight232.67 g/mol
Exact Mass232.06
IUPAC Name3-(pyrazol-1-ylmethyl)oxolane-2-carboxylic acid;hydrochloride
SMILESCl.O=C(O)C1OCCC1Cn1cccn1
InChIInChI=1S/C9H12N2O3.ClH/c12-9(13)8-7(2-5-14-8)6-11-4-1-3-10-11;/h1,3-4,7-8H,2,5-6H2,(H,12,13);1H
InChIKeyCWPTWYDPYNNZEZ-UHFFFAOYSA-N
XLogP0.79
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.67
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,3S)-3-(pyrazol-1-ylmethyl)oxolane-2-carboxylic acid;hydrochloride
CID 86812226
(2R,3R)-N-(2-chlorophenyl)-3-(pyrazol-1-ylmethyl)oxolane-2-carboxamide
CID 154807888
(3-amino-5-fluoroindazol-1-yl)-[(2R,3R)-3-(pyrazol-1-ylmethyl)oxolan-2-yl]methanone
CID 166321794
(2R,3R)-N-[(1S)-1-(4-fluoro-2-methylphenyl)ethyl]-3-(pyrazol-1-ylmethyl)oxolane-2-carboxamide
CID 136586790
3-[(4,5-dimethylimidazol-1-yl)methyl]oxolane-2-carboxylic acid
CID 165450195
(2R,3R)-3-[(4-nitroimidazol-1-yl)methyl]oxolane-2-carboxylic acid
CID 125426129
3-tert-butyl-5-[(2S,3S)-3-(pyrazol-1-ylmethyl)oxolan-2-yl]-1,2,4-oxadiazole
CID 128992897
1-(1,3-dioxan-4-ylmethyl)pyrazole
CID 130668729
[2-(pyrazol-1-ylmethyl)morpholin-4-yl]-pyrrolidin-2-ylmethanone;dihydrochloride
CID 119881013
[2-(pyrazol-1-ylmethyl)morpholin-4-yl]-pyrrolidin-3-ylmethanone;dihydrochloride
CID 119881027
1-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]ethanone
CID 52906688
1-[[(2S,3R)-2-tert-butyloxolan-3-yl]methyl]-3-(2-pyrazol-1-ylethyl)urea
CID 128998802

Frequently Asked Questions

What is the IUPAC name of 3-(pyrazol-1-ylmethyl)oxolane-2-carboxylic acid;hydrochloride?
The IUPAC name of 3-(pyrazol-1-ylmethyl)oxolane-2-carboxylic acid;hydrochloride (CID 122235478) is 3-(pyrazol-1-ylmethyl)oxolane-2-carboxylic acid;hydrochloride.
What is the SMILES notation for 3-(pyrazol-1-ylmethyl)oxolane-2-carboxylic acid;hydrochloride?
The canonical SMILES for 3-(pyrazol-1-ylmethyl)oxolane-2-carboxylic acid;hydrochloride is Cl.O=C(O)C1OCCC1Cn1cccn1.
What is the InChIKey of 3-(pyrazol-1-ylmethyl)oxolane-2-carboxylic acid;hydrochloride?
The InChIKey is CWPTWYDPYNNZEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3.ClH/c12-9(13)8-7(2-5-14-8)6-11-4-1-3-10-11;/h1,3-4,7-8H,2,5-6H2,(H,12,13);1H.
What are the key properties of 3-(pyrazol-1-ylmethyl)oxolane-2-carboxylic acid;hydrochloride?
3-(pyrazol-1-ylmethyl)oxolane-2-carboxylic acid;hydrochloride has a molecular weight of 232.67 g/mol, XLogP of 0.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(pyrazol-1-ylmethyl)oxolane-2-carboxylic acid;hydrochloride is sourced from PubChem (CID 122235478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).