2-(1-benzylpyrazol-4-yl)oxolane-3-carboxylic acid

C15H16N2O3 — CID 122235493

IUPAC2-(1-benzylpyrazol-4-yl)oxolane-3-carboxylic acid
SMILESO=C(O)C1CCOC1c1cnn(Cc2ccccc2)c1
InChIInChI=1S/C15H16N2O3/c18-15(19)13-6-7-20-14(13)12-8-16-17(10-12)9-11-4-2-1-3-5-11/h1-5,8,10,13-14H,6-7,9H2,(H,18,19)
InChIKeyPQHUTPHVAQIEEL-UHFFFAOYSA-N
MW272.30 g/mol
LogP2.09
Rot. Bonds4

About 2-(1-benzylpyrazol-4-yl)oxolane-3-carboxylic acid

2-(1-benzylpyrazol-4-yl)oxolane-3-carboxylic acid (PubChem CID 122235493) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is 2-(1-benzylpyrazol-4-yl)oxolane-3-carboxylic acid.

Molecular Properties

Compound Name2-(1-benzylpyrazol-4-yl)oxolane-3-carboxylic acid
PubChem CID122235493
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Name2-(1-benzylpyrazol-4-yl)oxolane-3-carboxylic acid
SMILESO=C(O)C1CCOC1c1cnn(Cc2ccccc2)c1
InChIInChI=1S/C15H16N2O3/c18-15(19)13-6-7-20-14(13)12-8-16-17(10-12)9-11-4-2-1-3-5-11/h1-5,8,10,13-14H,6-7,9H2,(H,18,19)
InChIKeyPQHUTPHVAQIEEL-UHFFFAOYSA-N
XLogP2.09
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,3R)-2-(1-ethylpyrazol-4-yl)oxolane-3-carboxylic acid
CID 124681119
(2S,3S)-2-(1-benzylpyrazol-4-yl)-N-[(3S)-2,3-dihydro-1-benzofuran-3-yl]oxolane-3-carboxamide
CID 129325519
(2S,3S)-N-(2-anilino-2-oxoethyl)-2-(1-benzylpyrazol-4-yl)-N-methyloxolane-3-carboxamide
CID 128965826
(2R,3R)-2-(1-propan-2-ylpyrazol-4-yl)oxolane-3-carboxylic acid
CID 124680941
6-(1-benzylpyrazol-4-yl)-5-methylmorpholin-3-one
CID 139343744
(2S,3S)-2-[1-(2-methoxyethyl)pyrazol-4-yl]-N-methyl-N-(2-phenylethyl)oxolane-3-carboxamide
CID 128970695
(3aS,5S,6aS)-4-[(1-benzylpyrazol-4-yl)methyl]-N-cyclopropyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-5-carboxamide
CID 138012938
2-(4-cyclopropylphenyl)oxolane-3-carboxylic acid
CID 79978253
N-[(1-benzylpyrazol-4-yl)methyl]-2,3,4,5-tetrahydro-1-benzoxepine-4-carboxamide
CID 72872678
(2R,3S)-4-[(1-benzylpyrazol-4-yl)methyl]-2-methylmorpholine-3-carboxamide
CID 128983261
3-[(1-benzylpyrazole-4-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 75498105
(3S,4S)-1-benzyl-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxylic acid
CID 124833087

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzylpyrazol-4-yl)oxolane-3-carboxylic acid?
The IUPAC name of 2-(1-benzylpyrazol-4-yl)oxolane-3-carboxylic acid (CID 122235493) is 2-(1-benzylpyrazol-4-yl)oxolane-3-carboxylic acid.
What is the SMILES notation for 2-(1-benzylpyrazol-4-yl)oxolane-3-carboxylic acid?
The canonical SMILES for 2-(1-benzylpyrazol-4-yl)oxolane-3-carboxylic acid is O=C(O)C1CCOC1c1cnn(Cc2ccccc2)c1.
What is the InChIKey of 2-(1-benzylpyrazol-4-yl)oxolane-3-carboxylic acid?
The InChIKey is PQHUTPHVAQIEEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c18-15(19)13-6-7-20-14(13)12-8-16-17(10-12)9-11-4-2-1-3-5-11/h1-5,8,10,13-14H,6-7,9H2,(H,18,19).
What are the key properties of 2-(1-benzylpyrazol-4-yl)oxolane-3-carboxylic acid?
2-(1-benzylpyrazol-4-yl)oxolane-3-carboxylic acid has a molecular weight of 272.30 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzylpyrazol-4-yl)oxolane-3-carboxylic acid is sourced from PubChem (CID 122235493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).