5-(azetidin-3-yl)-1-(3,3-difluorocyclopentyl)-3-methylpyrazole

C12H17F2N3 — CID 126489480

IUPAC5-(azetidin-3-yl)-1-(3,3-difluorocyclopentyl)-3-methylpyrazole
SMILESCc1cc(C2CNC2)n(C2CCC(F)(F)C2)n1
InChIInChI=1S/C12H17F2N3/c1-8-4-11(9-6-15-7-9)17(16-8)10-2-3-12(13,14)5-10/h4,9-10,15H,2-3,5-7H2,1H3
InChIKeyINANDHRJGAGKHB-UHFFFAOYSA-N
MW241.28 g/mol
LogP2.24
Rot. Bonds2

About 5-(azetidin-3-yl)-1-(3,3-difluorocyclopentyl)-3-methylpyrazole

5-(azetidin-3-yl)-1-(3,3-difluorocyclopentyl)-3-methylpyrazole (PubChem CID 126489480) has the molecular formula C12H17F2N3 and a molecular weight of 241.28 g/mol. Its IUPAC name is 5-(azetidin-3-yl)-1-(3,3-difluorocyclopentyl)-3-methylpyrazole.

Molecular Properties

Compound Name5-(azetidin-3-yl)-1-(3,3-difluorocyclopentyl)-3-methylpyrazole
PubChem CID126489480
Molecular FormulaC12H17F2N3
Molecular Weight241.28 g/mol
Exact Mass241.14
IUPAC Name5-(azetidin-3-yl)-1-(3,3-difluorocyclopentyl)-3-methylpyrazole
SMILESCc1cc(C2CNC2)n(C2CCC(F)(F)C2)n1
InChIInChI=1S/C12H17F2N3/c1-8-4-11(9-6-15-7-9)17(16-8)10-2-3-12(13,14)5-10/h4,9-10,15H,2-3,5-7H2,1H3
InChIKeyINANDHRJGAGKHB-UHFFFAOYSA-N
XLogP2.24
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.28
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

{2-[5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-1-methylethyl}amine
CID 19620826
2-(1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl)ethan-1-amine
CID 71833007
1-[1-methyl-3-(propan-2-yl)-1H-pyrazol-5-yl]methanamine dihydrochloride
CID 165949668
4-(2-ethyl-5-methyl-2H-pyrazol-3-yl)-piperidine
CID 11708208
N-[(2,5-dimethylpyrazol-3-yl)methyl]-3-fluorocyclopentan-1-amine
CID 126791965
{2-methyl-3-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]propyl}amine
CID 19615492
Piperidine, 4-[3-methyl-1-(2,2,2-trifluoroethyl)-1H-pyrazol-5-yl]-
CID 11608470
1-Ethyl-3-propan-2-yl-5-(trifluoromethyl)pyrazole
CID 20664188
1-Ethyl-5-propan-2-yl-3-(trifluoromethyl)pyrazole
CID 20664190
4-[1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidine
CID 22288395
2-[5-Methyl-2-(2,2,2-trifluoroethyl)pyrazol-3-yl]ethanamine
CID 57659611
1-(2,2-Difluoroethyl)-5-methyl-3-propan-2-ylpyrazole
CID 58029646

Frequently Asked Questions

What is the IUPAC name of 5-(azetidin-3-yl)-1-(3,3-difluorocyclopentyl)-3-methylpyrazole?
The IUPAC name of 5-(azetidin-3-yl)-1-(3,3-difluorocyclopentyl)-3-methylpyrazole (CID 126489480) is 5-(azetidin-3-yl)-1-(3,3-difluorocyclopentyl)-3-methylpyrazole.
What is the SMILES notation for 5-(azetidin-3-yl)-1-(3,3-difluorocyclopentyl)-3-methylpyrazole?
The canonical SMILES for 5-(azetidin-3-yl)-1-(3,3-difluorocyclopentyl)-3-methylpyrazole is Cc1cc(C2CNC2)n(C2CCC(F)(F)C2)n1.
What is the InChIKey of 5-(azetidin-3-yl)-1-(3,3-difluorocyclopentyl)-3-methylpyrazole?
The InChIKey is INANDHRJGAGKHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2N3/c1-8-4-11(9-6-15-7-9)17(16-8)10-2-3-12(13,14)5-10/h4,9-10,15H,2-3,5-7H2,1H3.
What are the key properties of 5-(azetidin-3-yl)-1-(3,3-difluorocyclopentyl)-3-methylpyrazole?
5-(azetidin-3-yl)-1-(3,3-difluorocyclopentyl)-3-methylpyrazole has a molecular weight of 241.28 g/mol, XLogP of 2.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(azetidin-3-yl)-1-(3,3-difluorocyclopentyl)-3-methylpyrazole is sourced from PubChem (CID 126489480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).