2-(4-bromopyrazol-1-yl)-N-methyl-N-[(2R,3S)-2-pyridin-3-yloxolan-3-yl]acetamide

C15H17BrN4O2 — CID 136581880

IUPAC2-(4-bromopyrazol-1-yl)-N-methyl-N-[(2R,3S)-2-pyridin-3-yloxolan-3-yl]acetamide
SMILESCN(C(=O)Cn1cc(Br)cn1)[C@H]1CCO[C@@H]1c1cccnc1
InChIInChI=1S/C15H17BrN4O2/c1-19(14(21)10-20-9-12(16)8-18-20)13-4-6-22-15(13)11-3-2-5-17-7-11/h2-3,5,7-9,13,15H,4,6,10H2,1H3/t13-,15+/m0/s1
InChIKeyZYQHKMSCHRIGJN-DZGCQCFKSA-N
MW365.23 g/mol
LogP2.03
Rot. Bonds4

About 2-(4-bromopyrazol-1-yl)-N-methyl-N-[(2R,3S)-2-pyridin-3-yloxolan-3-yl]acetamide

2-(4-bromopyrazol-1-yl)-N-methyl-N-[(2R,3S)-2-pyridin-3-yloxolan-3-yl]acetamide (PubChem CID 136581880) has the molecular formula C15H17BrN4O2 and a molecular weight of 365.23 g/mol. Its IUPAC name is 2-(4-bromopyrazol-1-yl)-N-methyl-N-[(2R,3S)-2-pyridin-3-yloxolan-3-yl]acetamide.

Molecular Properties

Compound Name2-(4-bromopyrazol-1-yl)-N-methyl-N-[(2R,3S)-2-pyridin-3-yloxolan-3-yl]acetamide
PubChem CID136581880
Molecular FormulaC15H17BrN4O2
Molecular Weight365.23 g/mol
Exact Mass364.05
IUPAC Name2-(4-bromopyrazol-1-yl)-N-methyl-N-[(2R,3S)-2-pyridin-3-yloxolan-3-yl]acetamide
SMILESCN(C(=O)Cn1cc(Br)cn1)[C@H]1CCO[C@@H]1c1cccnc1
InChIInChI=1S/C15H17BrN4O2/c1-19(14(21)10-20-9-12(16)8-18-20)13-4-6-22-15(13)11-3-2-5-17-7-11/h2-3,5,7-9,13,15H,4,6,10H2,1H3/t13-,15+/m0/s1
InChIKeyZYQHKMSCHRIGJN-DZGCQCFKSA-N
XLogP2.03
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.23
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromopyrazol-1-yl)-N-methyl-N-[(2R,3S)-2-pyridin-3-yloxolan-3-yl]acetamide?
The IUPAC name of 2-(4-bromopyrazol-1-yl)-N-methyl-N-[(2R,3S)-2-pyridin-3-yloxolan-3-yl]acetamide (CID 136581880) is 2-(4-bromopyrazol-1-yl)-N-methyl-N-[(2R,3S)-2-pyridin-3-yloxolan-3-yl]acetamide.
What is the SMILES notation for 2-(4-bromopyrazol-1-yl)-N-methyl-N-[(2R,3S)-2-pyridin-3-yloxolan-3-yl]acetamide?
The canonical SMILES for 2-(4-bromopyrazol-1-yl)-N-methyl-N-[(2R,3S)-2-pyridin-3-yloxolan-3-yl]acetamide is CN(C(=O)Cn1cc(Br)cn1)[C@H]1CCO[C@@H]1c1cccnc1.
What is the InChIKey of 2-(4-bromopyrazol-1-yl)-N-methyl-N-[(2R,3S)-2-pyridin-3-yloxolan-3-yl]acetamide?
The InChIKey is ZYQHKMSCHRIGJN-DZGCQCFKSA-N. The full InChI is InChI=1S/C15H17BrN4O2/c1-19(14(21)10-20-9-12(16)8-18-20)13-4-6-22-15(13)11-3-2-5-17-7-11/h2-3,5,7-9,13,15H,4,6,10H2,1H3/t13-,15+/m0/s1.
What are the key properties of 2-(4-bromopyrazol-1-yl)-N-methyl-N-[(2R,3S)-2-pyridin-3-yloxolan-3-yl]acetamide?
2-(4-bromopyrazol-1-yl)-N-methyl-N-[(2R,3S)-2-pyridin-3-yloxolan-3-yl]acetamide has a molecular weight of 365.23 g/mol, XLogP of 2.03, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromopyrazol-1-yl)-N-methyl-N-[(2R,3S)-2-pyridin-3-yloxolan-3-yl]acetamide is sourced from PubChem (CID 136581880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).