azetidin-1-yl-(1,4-dimethylpyrazol-5-yl)methanone

C9H13N3O — CID 169156016

IUPACazetidin-1-yl-(1,4-dimethylpyrazol-5-yl)methanone
SMILESCc1cnn(C)c1C(=O)N1CCC1
InChIInChI=1S/C9H13N3O/c1-7-6-10-11(2)8(7)9(13)12-4-3-5-12/h6H,3-5H2,1-2H3
InChIKeyGRGOZOCTHABZHT-UHFFFAOYSA-N
MW179.22 g/mol
LogP0.57
Rot. Bonds1

About azetidin-1-yl-(1,4-dimethylpyrazol-5-yl)methanone

azetidin-1-yl-(1,4-dimethylpyrazol-5-yl)methanone (PubChem CID 169156016) has the molecular formula C9H13N3O and a molecular weight of 179.22 g/mol. Its IUPAC name is azetidin-1-yl-(1,4-dimethylpyrazol-5-yl)methanone.

Molecular Properties

Compound Nameazetidin-1-yl-(1,4-dimethylpyrazol-5-yl)methanone
PubChem CID169156016
Molecular FormulaC9H13N3O
Molecular Weight179.22 g/mol
Exact Mass179.11
IUPAC Nameazetidin-1-yl-(1,4-dimethylpyrazol-5-yl)methanone
SMILESCc1cnn(C)c1C(=O)N1CCC1
InChIInChI=1S/C9H13N3O/c1-7-6-10-11(2)8(7)9(13)12-4-3-5-12/h6H,3-5H2,1-2H3
InChIKeyGRGOZOCTHABZHT-UHFFFAOYSA-N
XLogP0.57
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 50.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-bicyclo[3.1.0]hexanyl-(1,4-dimethylpyrazol-5-yl)methanone
CID 130527941
(5-amino-1-methylpyrazol-4-yl)-(azocan-1-yl)methanone
CID 115330379
4-(azetidine-1-carbonyl)-1-methyl-N-(2-methylpyrazol-3-yl)pyrazole-5-carboxamide
CID 165415447
cyclopentyl-[4-(1,5-dimethylpyrazole-4-carbonyl)-1,4-diazepan-1-yl]methanone
CID 135112462
(1,4-dimethylpyrazol-5-yl)-(oxolan-2-yl)methanone
CID 130527330
3-methyl-N-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]benzamide
CID 19336985
N-cyclopropyl-N,1,4-trimethylpyrazole-5-carboxamide
CID 169156131
azetidin-1-yl-(5-methylpyrimidin-2-yl)methanone
CID 153064839
(1,4-dimethylpyrazol-5-yl)-(2,4,6-trimethylphenyl)methanone
CID 112742471
4-(azetidine-1-carbonyl)-N-(2-bromo-6-methyl-4-pyridinyl)-1-methylpyrazole-5-carboxamide
CID 165415448
(4-amino-1-methylpyrazol-5-yl)-(4-propylpiperazin-1-yl)methanone
CID 65355801
(4-amino-1-methylpyrazol-5-yl)-(4-ethylpiperidin-1-yl)methanone
CID 65359976

Frequently Asked Questions

What is the IUPAC name of azetidin-1-yl-(1,4-dimethylpyrazol-5-yl)methanone?
The IUPAC name of azetidin-1-yl-(1,4-dimethylpyrazol-5-yl)methanone (CID 169156016) is azetidin-1-yl-(1,4-dimethylpyrazol-5-yl)methanone.
What is the SMILES notation for azetidin-1-yl-(1,4-dimethylpyrazol-5-yl)methanone?
The canonical SMILES for azetidin-1-yl-(1,4-dimethylpyrazol-5-yl)methanone is Cc1cnn(C)c1C(=O)N1CCC1.
What is the InChIKey of azetidin-1-yl-(1,4-dimethylpyrazol-5-yl)methanone?
The InChIKey is GRGOZOCTHABZHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O/c1-7-6-10-11(2)8(7)9(13)12-4-3-5-12/h6H,3-5H2,1-2H3.
What are the key properties of azetidin-1-yl-(1,4-dimethylpyrazol-5-yl)methanone?
azetidin-1-yl-(1,4-dimethylpyrazol-5-yl)methanone has a molecular weight of 179.22 g/mol, XLogP of 0.57, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azetidin-1-yl-(1,4-dimethylpyrazol-5-yl)methanone is sourced from PubChem (CID 169156016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).