3-[5-(difluoromethyl)pyrazol-1-yl]cyclobutan-1-amine

C8H11F2N3 — CID 176717528

IUPAC3-[5-(difluoromethyl)pyrazol-1-yl]cyclobutan-1-amine
SMILESNC1CC(n2nccc2C(F)F)C1
InChIInChI=1S/C8H11F2N3/c9-8(10)7-1-2-12-13(7)6-3-5(11)4-6/h1-2,5-6,8H,3-4,11H2
InChIKeyINDHHYVPLNZZJO-UHFFFAOYSA-N
MW187.19 g/mol
LogP1.48
Rot. Bonds2

About 3-[5-(difluoromethyl)pyrazol-1-yl]cyclobutan-1-amine

3-[5-(difluoromethyl)pyrazol-1-yl]cyclobutan-1-amine (PubChem CID 176717528) has the molecular formula C8H11F2N3 and a molecular weight of 187.19 g/mol. Its IUPAC name is 3-[5-(difluoromethyl)pyrazol-1-yl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-[5-(difluoromethyl)pyrazol-1-yl]cyclobutan-1-amine
PubChem CID176717528
Molecular FormulaC8H11F2N3
Molecular Weight187.19 g/mol
Exact Mass187.09
IUPAC Name3-[5-(difluoromethyl)pyrazol-1-yl]cyclobutan-1-amine
SMILESNC1CC(n2nccc2C(F)F)C1
InChIInChI=1S/C8H11F2N3/c9-8(10)7-1-2-12-13(7)6-3-5(11)4-6/h1-2,5-6,8H,3-4,11H2
InChIKeyINDHHYVPLNZZJO-UHFFFAOYSA-N
XLogP1.48
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.19
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-[2-(3-aminocyclobutyl)pyrazol-3-yl]ethanol
CID 121440089
[3-[5-(difluoromethyl)pyrazol-1-yl]cyclobutyl] 4-(oxidoamino)benzoate
CID 176718112
2-(2-cyclopentylpyrazol-3-yl)-3-methylbutan-1-amine
CID 83890277
1-(azetidin-3-yl)-5-propan-2-ylpyrazole
CID 84764985
2-(2-cyclopentylpyrazol-3-yl)propan-1-amine
CID 83878565
2-(2-cyclobutylpyrazol-3-yl)propan-1-amine
CID 83875236
(5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 146238903
1-[2-(3-aminocyclobutyl)pyrazol-3-yl]ethanol;tert-butyl N-[3-(5-acetylpyrazol-1-yl)cyclobutyl]carbamate;tert-butyl N-[3-[5-(1-hydroxyethyl)pyrazol-1-yl]cyclobutyl]carbamate;deuterioethane;oxolane;hydrochloride
CID 161100507
7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 168654914
(1R,3R)-9-methyl-9-azabicyclo[4.2.1]nonan-3-amine
CID 174018947
2-[2-(1-ethylpyrrolidin-3-yl)pyrazol-3-yl]-N-methylpropan-1-amine
CID 105498249
1-[1-(2-methylpyrazol-3-yl)ethyl]pyrrolidin-3-amine
CID 82400789

Frequently Asked Questions

What is the IUPAC name of 3-[5-(difluoromethyl)pyrazol-1-yl]cyclobutan-1-amine?
The IUPAC name of 3-[5-(difluoromethyl)pyrazol-1-yl]cyclobutan-1-amine (CID 176717528) is 3-[5-(difluoromethyl)pyrazol-1-yl]cyclobutan-1-amine.
What is the SMILES notation for 3-[5-(difluoromethyl)pyrazol-1-yl]cyclobutan-1-amine?
The canonical SMILES for 3-[5-(difluoromethyl)pyrazol-1-yl]cyclobutan-1-amine is NC1CC(n2nccc2C(F)F)C1.
What is the InChIKey of 3-[5-(difluoromethyl)pyrazol-1-yl]cyclobutan-1-amine?
The InChIKey is INDHHYVPLNZZJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F2N3/c9-8(10)7-1-2-12-13(7)6-3-5(11)4-6/h1-2,5-6,8H,3-4,11H2.
What are the key properties of 3-[5-(difluoromethyl)pyrazol-1-yl]cyclobutan-1-amine?
3-[5-(difluoromethyl)pyrazol-1-yl]cyclobutan-1-amine has a molecular weight of 187.19 g/mol, XLogP of 1.48, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(difluoromethyl)pyrazol-1-yl]cyclobutan-1-amine is sourced from PubChem (CID 176717528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).