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

C15H19N3O2S — CID 129003497

IUPACN-[(2R,3S)-2-(1,5-dimethylpyrazol-4-yl)oxolan-3-yl]-4-methylthiophene-3-carboxamide
SMILESCc1cscc1C(=O)N[C@H]1CCO[C@@H]1c1cnn(C)c1C
InChIInChI=1S/C15H19N3O2S/c1-9-7-21-8-12(9)15(19)17-13-4-5-20-14(13)11-6-16-18(3)10(11)2/h6-8,13-14H,4-5H2,1-3H3,(H,17,19)/t13-,14+/m0/s1
InChIKeyYOBVJQOVMUOQLF-UONOGXRCSA-N
MW305.40 g/mol
LogP2.36
Rot. Bonds3

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

N-[(2R,3S)-2-(1,5-dimethylpyrazol-4-yl)oxolan-3-yl]-4-methylthiophene-3-carboxamide (PubChem CID 129003497) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is N-[(2R,3S)-2-(1,5-dimethylpyrazol-4-yl)oxolan-3-yl]-4-methylthiophene-3-carboxamide.

Molecular Properties

Compound NameN-[(2R,3S)-2-(1,5-dimethylpyrazol-4-yl)oxolan-3-yl]-4-methylthiophene-3-carboxamide
PubChem CID129003497
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC NameN-[(2R,3S)-2-(1,5-dimethylpyrazol-4-yl)oxolan-3-yl]-4-methylthiophene-3-carboxamide
SMILESCc1cscc1C(=O)N[C@H]1CCO[C@@H]1c1cnn(C)c1C
InChIInChI=1S/C15H19N3O2S/c1-9-7-21-8-12(9)15(19)17-13-4-5-20-14(13)11-6-16-18(3)10(11)2/h6-8,13-14H,4-5H2,1-3H3,(H,17,19)/t13-,14+/m0/s1
InChIKeyYOBVJQOVMUOQLF-UONOGXRCSA-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-(1,5-dimethylpyrazol-4-yl)oxolan-3-yl]-4-methylthiophene-3-carboxamide?
The IUPAC name of N-[(2R,3S)-2-(1,5-dimethylpyrazol-4-yl)oxolan-3-yl]-4-methylthiophene-3-carboxamide (CID 129003497) is N-[(2R,3S)-2-(1,5-dimethylpyrazol-4-yl)oxolan-3-yl]-4-methylthiophene-3-carboxamide.
What is the SMILES notation for N-[(2R,3S)-2-(1,5-dimethylpyrazol-4-yl)oxolan-3-yl]-4-methylthiophene-3-carboxamide?
The canonical SMILES for N-[(2R,3S)-2-(1,5-dimethylpyrazol-4-yl)oxolan-3-yl]-4-methylthiophene-3-carboxamide is Cc1cscc1C(=O)N[C@H]1CCO[C@@H]1c1cnn(C)c1C.
What is the InChIKey of N-[(2R,3S)-2-(1,5-dimethylpyrazol-4-yl)oxolan-3-yl]-4-methylthiophene-3-carboxamide?
The InChIKey is YOBVJQOVMUOQLF-UONOGXRCSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-9-7-21-8-12(9)15(19)17-13-4-5-20-14(13)11-6-16-18(3)10(11)2/h6-8,13-14H,4-5H2,1-3H3,(H,17,19)/t13-,14+/m0/s1.
What are the key properties of N-[(2R,3S)-2-(1,5-dimethylpyrazol-4-yl)oxolan-3-yl]-4-methylthiophene-3-carboxamide?
N-[(2R,3S)-2-(1,5-dimethylpyrazol-4-yl)oxolan-3-yl]-4-methylthiophene-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-(1,5-dimethylpyrazol-4-yl)oxolan-3-yl]-4-methylthiophene-3-carboxamide is sourced from PubChem (CID 129003497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).