N-(azetidin-3-yl)-2-(4-bromopyrazol-1-yl)acetamide;hydrochloride

C8H12BrClN4O — CID 131031462

IUPACN-(azetidin-3-yl)-2-(4-bromopyrazol-1-yl)acetamide;hydrochloride
SMILESCl.O=C(Cn1cc(Br)cn1)NC1CNC1
InChIInChI=1S/C8H11BrN4O.ClH/c9-6-1-11-13(4-6)5-8(14)12-7-2-10-3-7;/h1,4,7,10H,2-3,5H2,(H,12,14);1H
InChIKeyARZQGPLCEXKAKV-UHFFFAOYSA-N
MW295.57 g/mol
LogP0.16
Rot. Bonds3

About N-(azetidin-3-yl)-2-(4-bromopyrazol-1-yl)acetamide;hydrochloride

N-(azetidin-3-yl)-2-(4-bromopyrazol-1-yl)acetamide;hydrochloride (PubChem CID 131031462) has the molecular formula C8H12BrClN4O and a molecular weight of 295.57 g/mol. Its IUPAC name is N-(azetidin-3-yl)-2-(4-bromopyrazol-1-yl)acetamide;hydrochloride.

Molecular Properties

Compound NameN-(azetidin-3-yl)-2-(4-bromopyrazol-1-yl)acetamide;hydrochloride
PubChem CID131031462
Molecular FormulaC8H12BrClN4O
Molecular Weight295.57 g/mol
Exact Mass293.99
IUPAC NameN-(azetidin-3-yl)-2-(4-bromopyrazol-1-yl)acetamide;hydrochloride
SMILESCl.O=C(Cn1cc(Br)cn1)NC1CNC1
InChIInChI=1S/C8H11BrN4O.ClH/c9-6-1-11-13(4-6)5-8(14)12-7-2-10-3-7;/h1,4,7,10H,2-3,5H2,(H,12,14);1H
InChIKeyARZQGPLCEXKAKV-UHFFFAOYSA-N
XLogP0.16
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.57
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 130653796
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CID 121226431
3-(4-bromopyrazol-1-yl)-N-cyclohexylpropanamide
CID 19561744
N-(azetidin-3-yl)-2-(triazol-2-yl)acetamide
CID 130653797
2-(4-bromopyrazol-1-yl)-N-[(1R,2R)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]acetamide
CID 164637304
2-(4-bromopyrazol-1-yl)-N-[3-(4-bromopyrazol-1-yl)propyl]acetamide
CID 19297618
2-(4-bromopyrazol-1-yl)-1-cyclohexylethanone
CID 115641053
2-(4-aminopyrazol-1-yl)-N-(5-oxopyrrolidin-3-yl)acetamide
CID 106179815
2-[4-(cyclopentylmethylamino)pyrazol-1-yl]-N-cyclopropylacetamide
CID 62069655
2-(4-bromopyrazol-1-yl)-N-[(1-ethylpyrazol-4-yl)methyl]acetamide
CID 19524572
1-[2-(cyclooctylamino)-2-oxoethyl]pyrazole-4-carboxylic acid
CID 19622340
4-bromo-1-[[(3S)-pyrrolidin-3-yl]methyl]pyrazole;hydrochloride
CID 165429520

Frequently Asked Questions

What is the IUPAC name of N-(azetidin-3-yl)-2-(4-bromopyrazol-1-yl)acetamide;hydrochloride?
The IUPAC name of N-(azetidin-3-yl)-2-(4-bromopyrazol-1-yl)acetamide;hydrochloride (CID 131031462) is N-(azetidin-3-yl)-2-(4-bromopyrazol-1-yl)acetamide;hydrochloride.
What is the SMILES notation for N-(azetidin-3-yl)-2-(4-bromopyrazol-1-yl)acetamide;hydrochloride?
The canonical SMILES for N-(azetidin-3-yl)-2-(4-bromopyrazol-1-yl)acetamide;hydrochloride is Cl.O=C(Cn1cc(Br)cn1)NC1CNC1.
What is the InChIKey of N-(azetidin-3-yl)-2-(4-bromopyrazol-1-yl)acetamide;hydrochloride?
The InChIKey is ARZQGPLCEXKAKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11BrN4O.ClH/c9-6-1-11-13(4-6)5-8(14)12-7-2-10-3-7;/h1,4,7,10H,2-3,5H2,(H,12,14);1H.
What are the key properties of N-(azetidin-3-yl)-2-(4-bromopyrazol-1-yl)acetamide;hydrochloride?
N-(azetidin-3-yl)-2-(4-bromopyrazol-1-yl)acetamide;hydrochloride has a molecular weight of 295.57 g/mol, XLogP of 0.16, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azetidin-3-yl)-2-(4-bromopyrazol-1-yl)acetamide;hydrochloride is sourced from PubChem (CID 131031462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).