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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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).