(2R,3R)-2-(1-propan-2-ylpyrazol-4-yl)oxolane-3-carboxylic acid

C11H16N2O3 — CID 124680941

IUPAC(2R,3R)-2-(1-propan-2-ylpyrazol-4-yl)oxolane-3-carboxylic acid
SMILESCC(C)n1cc([C@@H]2OCC[C@H]2C(=O)O)cn1
InChIInChI=1S/C11H16N2O3/c1-7(2)13-6-8(5-12-13)10-9(11(14)15)3-4-16-10/h5-7,9-10H,3-4H2,1-2H3,(H,14,15)/t9-,10+/m1/s1
InChIKeyNKSPBXAUFCSZFI-ZJUUUORDSA-N
MW224.26 g/mol
LogP1.63
Rot. Bonds3

About (2R,3R)-2-(1-propan-2-ylpyrazol-4-yl)oxolane-3-carboxylic acid

(2R,3R)-2-(1-propan-2-ylpyrazol-4-yl)oxolane-3-carboxylic acid (PubChem CID 124680941) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is (2R,3R)-2-(1-propan-2-ylpyrazol-4-yl)oxolane-3-carboxylic acid.

Molecular Properties

Compound Name(2R,3R)-2-(1-propan-2-ylpyrazol-4-yl)oxolane-3-carboxylic acid
PubChem CID124680941
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Name(2R,3R)-2-(1-propan-2-ylpyrazol-4-yl)oxolane-3-carboxylic acid
SMILESCC(C)n1cc([C@@H]2OCC[C@H]2C(=O)O)cn1
InChIInChI=1S/C11H16N2O3/c1-7(2)13-6-8(5-12-13)10-9(11(14)15)3-4-16-10/h5-7,9-10H,3-4H2,1-2H3,(H,14,15)/t9-,10+/m1/s1
InChIKeyNKSPBXAUFCSZFI-ZJUUUORDSA-N
XLogP1.63
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 51.63
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,3R)-2-(1-propan-2-ylpyrazol-4-yl)oxolan-3-amine;dihydrochloride
CID 122155807
(2R,3R)-2-(1-propan-2-ylpyrazol-4-yl)-N-(1,3-thiazol-2-ylmethyl)oxolane-3-carboxamide
CID 166324188
2-(1-benzylpyrazol-4-yl)oxolane-3-carboxylic acid
CID 122235493
(2S,3S)-N-methyl-2-(1-propan-2-ylpyrazol-4-yl)-N-(2-pyridin-2-ylethyl)oxolane-3-carboxamide
CID 128968659
N-[3-[[(2R,3R)-2-(1-propan-2-ylpyrazol-4-yl)oxolane-3-carbonyl]amino]phenyl]pyridine-4-carboxamide
CID 166342281
(2S,3S)-N-[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]-2-(1-propan-2-ylpyrazol-4-yl)oxolane-3-carboxamide
CID 128969422
(2R,3R)-N-(2,2-dimethyl-3H-1-benzofuran-5-yl)-2-(1-propan-2-ylpyrazol-4-yl)oxolane-3-carboxamide
CID 166324211
1-(6,7-difluoro-2,3-dihydro-1H-inden-1-yl)-3-[(2S,3R)-2-(1-propan-2-ylpyrazol-4-yl)oxolan-3-yl]urea
CID 132972674
2-(4-cyclopropylphenyl)oxolane-3-carboxylic acid
CID 79978253
(2R,3R)-2-[5-[5-(dimethylcarbamoyl)-3-pyridinyl]-3-pyridinyl]oxolane-3-carboxylic acid
CID 136588272
1,3-dihydroisoindol-2-yl-[(2S,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]methanone
CID 128994244

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-(1-propan-2-ylpyrazol-4-yl)oxolane-3-carboxylic acid?
The IUPAC name of (2R,3R)-2-(1-propan-2-ylpyrazol-4-yl)oxolane-3-carboxylic acid (CID 124680941) is (2R,3R)-2-(1-propan-2-ylpyrazol-4-yl)oxolane-3-carboxylic acid.
What is the SMILES notation for (2R,3R)-2-(1-propan-2-ylpyrazol-4-yl)oxolane-3-carboxylic acid?
The canonical SMILES for (2R,3R)-2-(1-propan-2-ylpyrazol-4-yl)oxolane-3-carboxylic acid is CC(C)n1cc([C@@H]2OCC[C@H]2C(=O)O)cn1.
What is the InChIKey of (2R,3R)-2-(1-propan-2-ylpyrazol-4-yl)oxolane-3-carboxylic acid?
The InChIKey is NKSPBXAUFCSZFI-ZJUUUORDSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-7(2)13-6-8(5-12-13)10-9(11(14)15)3-4-16-10/h5-7,9-10H,3-4H2,1-2H3,(H,14,15)/t9-,10+/m1/s1.
What are the key properties of (2R,3R)-2-(1-propan-2-ylpyrazol-4-yl)oxolane-3-carboxylic acid?
(2R,3R)-2-(1-propan-2-ylpyrazol-4-yl)oxolane-3-carboxylic acid has a molecular weight of 224.26 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-(1-propan-2-ylpyrazol-4-yl)oxolane-3-carboxylic acid is sourced from PubChem (CID 124680941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).