N-[1-(azetidin-3-yl)pyrazol-4-yl]acetamide;hydrochloride

C8H13ClN4O — CID 142434812

IUPACN-[1-(azetidin-3-yl)pyrazol-4-yl]acetamide;hydrochloride
SMILESCC(=O)Nc1cnn(C2CNC2)c1.Cl
InChIInChI=1S/C8H12N4O.ClH/c1-6(13)11-7-2-10-12(5-7)8-3-9-4-8;/h2,5,8-9H,3-4H2,1H3,(H,11,13);1H
InChIKeyVTHHIZVIESAAPD-UHFFFAOYSA-N
MW216.67 g/mol
LogP0.41
Rot. Bonds2

About N-[1-(azetidin-3-yl)pyrazol-4-yl]acetamide;hydrochloride

N-[1-(azetidin-3-yl)pyrazol-4-yl]acetamide;hydrochloride (PubChem CID 142434812) has the molecular formula C8H13ClN4O and a molecular weight of 216.67 g/mol. Its IUPAC name is N-[1-(azetidin-3-yl)pyrazol-4-yl]acetamide;hydrochloride.

Molecular Properties

Compound NameN-[1-(azetidin-3-yl)pyrazol-4-yl]acetamide;hydrochloride
PubChem CID142434812
Molecular FormulaC8H13ClN4O
Molecular Weight216.67 g/mol
Exact Mass216.08
IUPAC NameN-[1-(azetidin-3-yl)pyrazol-4-yl]acetamide;hydrochloride
SMILESCC(=O)Nc1cnn(C2CNC2)c1.Cl
InChIInChI=1S/C8H12N4O.ClH/c1-6(13)11-7-2-10-12(5-7)8-3-9-4-8;/h2,5,8-9H,3-4H2,1H3,(H,11,13);1H
InChIKeyVTHHIZVIESAAPD-UHFFFAOYSA-N
XLogP0.41
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.67
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(1-chloropiperidin-4-yl)pyrazol-4-yl]acetamide
CID 130377121
N-(1-piperidin-4-ylpyrazol-4-yl)but-2-ynamide
CID 107990454
(4aS,5aR)-N-[1-(azetidin-3-yl)pyrazol-4-yl]-5,5-difluoro-5a-methyl-1,4,4a,6-tetrahydrocyclopropa[f]indazole-3-carboxamide
CID 167190125
N-[1-(azetidin-3-yl)pyrazol-4-yl]-2-cyclopentyl-2-phenylacetamide;2,2,2-trifluoroacetic acid
CID 172895316
2-(1-methylpyrazol-4-yl)-2-oxo-N-(1-piperidin-4-ylpyrazol-4-yl)acetamide
CID 166211770
3-[1-(azetidin-3-yl)pyrazol-4-yl]-2-methylpropanoic acid
CID 105462907
N-[1-[(3S,5S)-5-(methoxymethyl)-1-(oxan-4-yl)pyrrolidin-3-yl]pyrazol-4-yl]acetamide
CID 146118992
1-(2-methoxyethyl)-3-[1-(oxan-4-yl)pyrazol-4-yl]urea
CID 71810282
6-oxo-N-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]-1H-pyridine-3-carboxamide
CID 97427967
6-oxo-N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]-1H-pyridine-3-carboxamide
CID 97427968
1-tert-butyl-3-[1-(oxolan-3-yl)pyrazol-4-yl]urea
CID 72719638
N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]bicyclo[3.1.0]hexane-6-carboxamide
CID 167939021

Frequently Asked Questions

What is the IUPAC name of N-[1-(azetidin-3-yl)pyrazol-4-yl]acetamide;hydrochloride?
The IUPAC name of N-[1-(azetidin-3-yl)pyrazol-4-yl]acetamide;hydrochloride (CID 142434812) is N-[1-(azetidin-3-yl)pyrazol-4-yl]acetamide;hydrochloride.
What is the SMILES notation for N-[1-(azetidin-3-yl)pyrazol-4-yl]acetamide;hydrochloride?
The canonical SMILES for N-[1-(azetidin-3-yl)pyrazol-4-yl]acetamide;hydrochloride is CC(=O)Nc1cnn(C2CNC2)c1.Cl.
What is the InChIKey of N-[1-(azetidin-3-yl)pyrazol-4-yl]acetamide;hydrochloride?
The InChIKey is VTHHIZVIESAAPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O.ClH/c1-6(13)11-7-2-10-12(5-7)8-3-9-4-8;/h2,5,8-9H,3-4H2,1H3,(H,11,13);1H.
What are the key properties of N-[1-(azetidin-3-yl)pyrazol-4-yl]acetamide;hydrochloride?
N-[1-(azetidin-3-yl)pyrazol-4-yl]acetamide;hydrochloride has a molecular weight of 216.67 g/mol, XLogP of 0.41, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(azetidin-3-yl)pyrazol-4-yl]acetamide;hydrochloride is sourced from PubChem (CID 142434812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).