1-[(3,3-difluorocyclobutyl)methyl]pyrazol-4-amine

C8H11F2N3 — CID 122240415

IUPAC1-[(3,3-difluorocyclobutyl)methyl]pyrazol-4-amine
SMILESNc1cnn(CC2CC(F)(F)C2)c1
InChIInChI=1S/C8H11F2N3/c9-8(10)1-6(2-8)4-13-5-7(11)3-12-13/h3,5-6H,1-2,4,11H2
InChIKeyYONXGUWJWQWFOT-UHFFFAOYSA-N
MW187.19 g/mol
LogP1.51
Rot. Bonds2

About 1-[(3,3-difluorocyclobutyl)methyl]pyrazol-4-amine

1-[(3,3-difluorocyclobutyl)methyl]pyrazol-4-amine (PubChem CID 122240415) has the molecular formula C8H11F2N3 and a molecular weight of 187.19 g/mol. Its IUPAC name is 1-[(3,3-difluorocyclobutyl)methyl]pyrazol-4-amine.

Molecular Properties

Compound Name1-[(3,3-difluorocyclobutyl)methyl]pyrazol-4-amine
PubChem CID122240415
Molecular FormulaC8H11F2N3
Molecular Weight187.19 g/mol
Exact Mass187.09
IUPAC Name1-[(3,3-difluorocyclobutyl)methyl]pyrazol-4-amine
SMILESNc1cnn(CC2CC(F)(F)C2)c1
InChIInChI=1S/C8H11F2N3/c9-8(10)1-6(2-8)4-13-5-7(11)3-12-13/h3,5-6H,1-2,4,11H2
InChIKeyYONXGUWJWQWFOT-UHFFFAOYSA-N
XLogP1.51
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 ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(3,3-difluorocyclobutyl)methyl]pyrazol-4-amine?
The IUPAC name of 1-[(3,3-difluorocyclobutyl)methyl]pyrazol-4-amine (CID 122240415) is 1-[(3,3-difluorocyclobutyl)methyl]pyrazol-4-amine.
What is the SMILES notation for 1-[(3,3-difluorocyclobutyl)methyl]pyrazol-4-amine?
The canonical SMILES for 1-[(3,3-difluorocyclobutyl)methyl]pyrazol-4-amine is Nc1cnn(CC2CC(F)(F)C2)c1.
What is the InChIKey of 1-[(3,3-difluorocyclobutyl)methyl]pyrazol-4-amine?
The InChIKey is YONXGUWJWQWFOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F2N3/c9-8(10)1-6(2-8)4-13-5-7(11)3-12-13/h3,5-6H,1-2,4,11H2.
What are the key properties of 1-[(3,3-difluorocyclobutyl)methyl]pyrazol-4-amine?
1-[(3,3-difluorocyclobutyl)methyl]pyrazol-4-amine has a molecular weight of 187.19 g/mol, XLogP of 1.51, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,3-difluorocyclobutyl)methyl]pyrazol-4-amine is sourced from PubChem (CID 122240415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).