1-(3,3-difluoropropyl)pyrazol-4-amine

C6H9F2N3 — CID 84651169

IUPAC1-(3,3-difluoropropyl)pyrazol-4-amine
SMILESNc1cnn(CCC(F)F)c1
InChIInChI=1S/C6H9F2N3/c7-6(8)1-2-11-4-5(9)3-10-11/h3-4,6H,1-2,9H2
InChIKeyVUPDYSJLTUVGKH-UHFFFAOYSA-N
MW161.16 g/mol
LogP1.12
Rot. Bonds3

About 1-(3,3-difluoropropyl)pyrazol-4-amine

1-(3,3-difluoropropyl)pyrazol-4-amine (PubChem CID 84651169) has the molecular formula C6H9F2N3 and a molecular weight of 161.16 g/mol. Its IUPAC name is 1-(3,3-difluoropropyl)pyrazol-4-amine.

Molecular Properties

Compound Name1-(3,3-difluoropropyl)pyrazol-4-amine
PubChem CID84651169
Molecular FormulaC6H9F2N3
Molecular Weight161.16 g/mol
Exact Mass161.08
IUPAC Name1-(3,3-difluoropropyl)pyrazol-4-amine
SMILESNc1cnn(CCC(F)F)c1
InChIInChI=1S/C6H9F2N3/c7-6(8)1-2-11-4-5(9)3-10-11/h3-4,6H,1-2,9H2
InChIKeyVUPDYSJLTUVGKH-UHFFFAOYSA-N
XLogP1.12
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.16
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3,3-difluoropropyl)pyrazol-4-amine?
The IUPAC name of 1-(3,3-difluoropropyl)pyrazol-4-amine (CID 84651169) is 1-(3,3-difluoropropyl)pyrazol-4-amine.
What is the SMILES notation for 1-(3,3-difluoropropyl)pyrazol-4-amine?
The canonical SMILES for 1-(3,3-difluoropropyl)pyrazol-4-amine is Nc1cnn(CCC(F)F)c1.
What is the InChIKey of 1-(3,3-difluoropropyl)pyrazol-4-amine?
The InChIKey is VUPDYSJLTUVGKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F2N3/c7-6(8)1-2-11-4-5(9)3-10-11/h3-4,6H,1-2,9H2.
What are the key properties of 1-(3,3-difluoropropyl)pyrazol-4-amine?
1-(3,3-difluoropropyl)pyrazol-4-amine has a molecular weight of 161.16 g/mol, XLogP of 1.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-difluoropropyl)pyrazol-4-amine is sourced from PubChem (CID 84651169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).