N-[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]thiophene-3-carboxamide

C15H19N3O2S — CID 128972864

IUPACN-[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]thiophene-3-carboxamide
SMILESCc1nn(C)c(C)c1[C@H]1OCC[C@@H]1NC(=O)c1ccsc1
InChIInChI=1S/C15H19N3O2S/c1-9-13(10(2)18(3)17-9)14-12(4-6-20-14)16-15(19)11-5-7-21-8-11/h5,7-8,12,14H,4,6H2,1-3H3,(H,16,19)/t12-,14-/m0/s1
InChIKeyJNPIQXNGWVQXNE-JSGCOSHPSA-N
MW305.40 g/mol
LogP2.36
Rot. Bonds3

About N-[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]thiophene-3-carboxamide

N-[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]thiophene-3-carboxamide (PubChem CID 128972864) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is N-[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]thiophene-3-carboxamide
PubChem CID128972864
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC NameN-[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]thiophene-3-carboxamide
SMILESCc1nn(C)c(C)c1[C@H]1OCC[C@@H]1NC(=O)c1ccsc1
InChIInChI=1S/C15H19N3O2S/c1-9-13(10(2)18(3)17-9)14-12(4-6-20-14)16-15(19)11-5-7-21-8-11/h5,7-8,12,14H,4,6H2,1-3H3,(H,16,19)/t12-,14-/m0/s1
InChIKeyJNPIQXNGWVQXNE-JSGCOSHPSA-N
XLogP2.36
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]thiophene-3-carboxamide?
The IUPAC name of N-[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]thiophene-3-carboxamide (CID 128972864) is N-[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]thiophene-3-carboxamide.
What is the SMILES notation for N-[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]thiophene-3-carboxamide?
The canonical SMILES for N-[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]thiophene-3-carboxamide is Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1NC(=O)c1ccsc1.
What is the InChIKey of N-[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]thiophene-3-carboxamide?
The InChIKey is JNPIQXNGWVQXNE-JSGCOSHPSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-9-13(10(2)18(3)17-9)14-12(4-6-20-14)16-15(19)11-5-7-21-8-11/h5,7-8,12,14H,4,6H2,1-3H3,(H,16,19)/t12-,14-/m0/s1.
What are the key properties of N-[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]thiophene-3-carboxamide?
N-[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]thiophene-3-carboxamide has a molecular weight of 305.40 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]thiophene-3-carboxamide is sourced from PubChem (CID 128972864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).