(2R,5S)-5-[(1,3,5-trimethylpyrazol-4-yl)carbamoyl]oxolane-2-carboxylic acid

C12H17N3O4 — CID 102944490

IUPAC(2R,5S)-5-[(1,3,5-trimethylpyrazol-4-yl)carbamoyl]oxolane-2-carboxylic acid
SMILESCc1nn(C)c(C)c1NC(=O)[C@@H]1CC[C@H](C(=O)O)O1
InChIInChI=1S/C12H17N3O4/c1-6-10(7(2)15(3)14-6)13-11(16)8-4-5-9(19-8)12(17)18/h8-9H,4-5H2,1-3H3,(H,13,16)(H,17,18)/t8-,9+/m0/s1
InChIKeySWNYVGOEAYFPMI-DTWKUNHWSA-N
MW267.28 g/mol
LogP0.61
Rot. Bonds3

About (2R,5S)-5-[(1,3,5-trimethylpyrazol-4-yl)carbamoyl]oxolane-2-carboxylic acid

(2R,5S)-5-[(1,3,5-trimethylpyrazol-4-yl)carbamoyl]oxolane-2-carboxylic acid (PubChem CID 102944490) has the molecular formula C12H17N3O4 and a molecular weight of 267.28 g/mol. Its IUPAC name is (2R,5S)-5-[(1,3,5-trimethylpyrazol-4-yl)carbamoyl]oxolane-2-carboxylic acid.

Molecular Properties

Compound Name(2R,5S)-5-[(1,3,5-trimethylpyrazol-4-yl)carbamoyl]oxolane-2-carboxylic acid
PubChem CID102944490
Molecular FormulaC12H17N3O4
Molecular Weight267.28 g/mol
Exact Mass267.12
IUPAC Name(2R,5S)-5-[(1,3,5-trimethylpyrazol-4-yl)carbamoyl]oxolane-2-carboxylic acid
SMILESCc1nn(C)c(C)c1NC(=O)[C@@H]1CC[C@H](C(=O)O)O1
InChIInChI=1S/C12H17N3O4/c1-6-10(7(2)15(3)14-6)13-11(16)8-4-5-9(19-8)12(17)18/h8-9H,4-5H2,1-3H3,(H,13,16)(H,17,18)/t8-,9+/m0/s1
InChIKeySWNYVGOEAYFPMI-DTWKUNHWSA-N
XLogP0.61
TPSA93.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-2-[(1,3,5-trimethylpyrazol-4-yl)carbamoyl]cyclopentane-1-carboxylic acid
CID 114390455
4-amino-N-(1,3,5-trimethylpyrazol-4-yl)cyclohexane-1-carboxamide
CID 61254029
4-tert-butyl-N-(1,3,5-trimethylpyrazol-4-yl)cyclohexane-1-carboxamide
CID 30663515
5-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]oxolane-2-carboxylic acid
CID 102689028
(2R,5S)-5-[(1,3-dimethylpyrazol-4-yl)methylcarbamoyl]oxolane-2-carboxylic acid
CID 102945620
3-amino-N-(1,3,5-trimethylpyrazol-4-yl)cyclohexane-1-carboxamide
CID 55146550
(2S,5R)-5-(aminomethyl)-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)oxolane-2-carboxamide;hydrochloride
CID 120794437
methyl 1,5-dimethyl-4-(oxolane-2-carbonylamino)pyrazole-3-carboxylate
CID 110280743
1-[(1,3,5-trimethylpyrazol-4-yl)sulfamoyl]piperidine-4-carboxylic acid
CID 60859244
2-piperidin-4-yl-N-(1,3,5-trimethylpyrazol-4-yl)acetamide;hydrochloride
CID 119688873
(2R,5S)-5-(pyridin-4-ylcarbamoyl)oxolane-2-carboxylic acid
CID 102944564
2-piperidin-3-yl-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 55105252

Frequently Asked Questions

What is the IUPAC name of (2R,5S)-5-[(1,3,5-trimethylpyrazol-4-yl)carbamoyl]oxolane-2-carboxylic acid?
The IUPAC name of (2R,5S)-5-[(1,3,5-trimethylpyrazol-4-yl)carbamoyl]oxolane-2-carboxylic acid (CID 102944490) is (2R,5S)-5-[(1,3,5-trimethylpyrazol-4-yl)carbamoyl]oxolane-2-carboxylic acid.
What is the SMILES notation for (2R,5S)-5-[(1,3,5-trimethylpyrazol-4-yl)carbamoyl]oxolane-2-carboxylic acid?
The canonical SMILES for (2R,5S)-5-[(1,3,5-trimethylpyrazol-4-yl)carbamoyl]oxolane-2-carboxylic acid is Cc1nn(C)c(C)c1NC(=O)[C@@H]1CC[C@H](C(=O)O)O1.
What is the InChIKey of (2R,5S)-5-[(1,3,5-trimethylpyrazol-4-yl)carbamoyl]oxolane-2-carboxylic acid?
The InChIKey is SWNYVGOEAYFPMI-DTWKUNHWSA-N. The full InChI is InChI=1S/C12H17N3O4/c1-6-10(7(2)15(3)14-6)13-11(16)8-4-5-9(19-8)12(17)18/h8-9H,4-5H2,1-3H3,(H,13,16)(H,17,18)/t8-,9+/m0/s1.
What are the key properties of (2R,5S)-5-[(1,3,5-trimethylpyrazol-4-yl)carbamoyl]oxolane-2-carboxylic acid?
(2R,5S)-5-[(1,3,5-trimethylpyrazol-4-yl)carbamoyl]oxolane-2-carboxylic acid has a molecular weight of 267.28 g/mol, XLogP of 0.61, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5S)-5-[(1,3,5-trimethylpyrazol-4-yl)carbamoyl]oxolane-2-carboxylic acid is sourced from PubChem (CID 102944490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).