2-(azetidin-3-yl)pyrazole-3-carbonitrile

C7H8N4 — CID 84731232

IUPAC2-(azetidin-3-yl)pyrazole-3-carbonitrile
SMILESN#Cc1ccnn1C1CNC1
InChIInChI=1S/C7H8N4/c8-3-6-1-2-10-11(6)7-4-9-5-7/h1-2,7,9H,4-5H2
InChIKeyMXLSVZCMUGHPJQ-UHFFFAOYSA-N
MW148.17 g/mol
LogP-0.10
Rot. Bonds1

About 2-(azetidin-3-yl)pyrazole-3-carbonitrile

2-(azetidin-3-yl)pyrazole-3-carbonitrile (PubChem CID 84731232) has the molecular formula C7H8N4 and a molecular weight of 148.17 g/mol. Its IUPAC name is 2-(azetidin-3-yl)pyrazole-3-carbonitrile.

Molecular Properties

Compound Name2-(azetidin-3-yl)pyrazole-3-carbonitrile
PubChem CID84731232
Molecular FormulaC7H8N4
Molecular Weight148.17 g/mol
Exact Mass148.07
IUPAC Name2-(azetidin-3-yl)pyrazole-3-carbonitrile
SMILESN#Cc1ccnn1C1CNC1
InChIInChI=1S/C7H8N4/c8-3-6-1-2-10-11(6)7-4-9-5-7/h1-2,7,9H,4-5H2
InChIKeyMXLSVZCMUGHPJQ-UHFFFAOYSA-N
XLogP-0.10
TPSA53.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.17
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopentylpyrazole-3-carbonitrile
CID 105431659
2-(1-methylpiperidin-4-yl)pyrazole-3-carbonitrile
CID 84732987
1-(azetidin-3-yl)-5-methylpyrazole
CID 84731114
2-(1-ethylpyrrolidin-3-yl)pyrazole-3-carbonitrile
CID 105444431
2-[(2S)-oxan-2-yl]pyrazole-3-carbonitrile
CID 129410450
1-(azetidin-3-yl)-5-(trifluoromethyl)pyrazole
CID 59650642
1-(azetidin-3-yl)-5-propan-2-ylpyrazole
CID 84764985
1-[2-(azetidin-3-yl)pyrazol-3-yl]cyclopropan-1-amine
CID 105437694
3-[2-(azetidin-3-yl)pyrazol-3-yl]propan-1-amine
CID 105439047
2-(5-cyanopyrazol-1-yl)cyclohexane-1-carboxylic acid
CID 84735163
2-(5-cyanopyrazol-1-yl)cyclopentane-1-carboxylic acid
CID 84734034
5-ethynyl-1-(oxan-4-yl)pyrazole
CID 155821915

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-yl)pyrazole-3-carbonitrile?
The IUPAC name of 2-(azetidin-3-yl)pyrazole-3-carbonitrile (CID 84731232) is 2-(azetidin-3-yl)pyrazole-3-carbonitrile.
What is the SMILES notation for 2-(azetidin-3-yl)pyrazole-3-carbonitrile?
The canonical SMILES for 2-(azetidin-3-yl)pyrazole-3-carbonitrile is N#Cc1ccnn1C1CNC1.
What is the InChIKey of 2-(azetidin-3-yl)pyrazole-3-carbonitrile?
The InChIKey is MXLSVZCMUGHPJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4/c8-3-6-1-2-10-11(6)7-4-9-5-7/h1-2,7,9H,4-5H2.
What are the key properties of 2-(azetidin-3-yl)pyrazole-3-carbonitrile?
2-(azetidin-3-yl)pyrazole-3-carbonitrile has a molecular weight of 148.17 g/mol, XLogP of -0.10, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-yl)pyrazole-3-carbonitrile is sourced from PubChem (CID 84731232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).