1-(difluoromethyl)-N-(furan-2-ylmethyl)pyrazol-3-amine

C9H9F2N3O — CID 122168918

IUPAC1-(difluoromethyl)-N-(furan-2-ylmethyl)pyrazol-3-amine
SMILESFC(F)n1ccc(NCc2ccco2)n1
InChIInChI=1S/C9H9F2N3O/c10-9(11)14-4-3-8(13-14)12-6-7-2-1-5-15-7/h1-5,9H,6H2,(H,12,13)
InChIKeyOBOQQQQABNZIBD-UHFFFAOYSA-N
MW213.19 g/mol
LogP2.48
Rot. Bonds4

About 1-(difluoromethyl)-N-(furan-2-ylmethyl)pyrazol-3-amine

1-(difluoromethyl)-N-(furan-2-ylmethyl)pyrazol-3-amine (PubChem CID 122168918) has the molecular formula C9H9F2N3O and a molecular weight of 213.19 g/mol. Its IUPAC name is 1-(difluoromethyl)-N-(furan-2-ylmethyl)pyrazol-3-amine.

Molecular Properties

Compound Name1-(difluoromethyl)-N-(furan-2-ylmethyl)pyrazol-3-amine
PubChem CID122168918
Molecular FormulaC9H9F2N3O
Molecular Weight213.19 g/mol
Exact Mass213.07
IUPAC Name1-(difluoromethyl)-N-(furan-2-ylmethyl)pyrazol-3-amine
SMILESFC(F)n1ccc(NCc2ccco2)n1
InChIInChI=1S/C9H9F2N3O/c10-9(11)14-4-3-8(13-14)12-6-7-2-1-5-15-7/h1-5,9H,6H2,(H,12,13)
InChIKeyOBOQQQQABNZIBD-UHFFFAOYSA-N
XLogP2.48
TPSA42.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.19
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)-N-(furan-2-ylmethyl)pyrazol-3-amine?
The IUPAC name of 1-(difluoromethyl)-N-(furan-2-ylmethyl)pyrazol-3-amine (CID 122168918) is 1-(difluoromethyl)-N-(furan-2-ylmethyl)pyrazol-3-amine.
What is the SMILES notation for 1-(difluoromethyl)-N-(furan-2-ylmethyl)pyrazol-3-amine?
The canonical SMILES for 1-(difluoromethyl)-N-(furan-2-ylmethyl)pyrazol-3-amine is FC(F)n1ccc(NCc2ccco2)n1.
What is the InChIKey of 1-(difluoromethyl)-N-(furan-2-ylmethyl)pyrazol-3-amine?
The InChIKey is OBOQQQQABNZIBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F2N3O/c10-9(11)14-4-3-8(13-14)12-6-7-2-1-5-15-7/h1-5,9H,6H2,(H,12,13).
What are the key properties of 1-(difluoromethyl)-N-(furan-2-ylmethyl)pyrazol-3-amine?
1-(difluoromethyl)-N-(furan-2-ylmethyl)pyrazol-3-amine has a molecular weight of 213.19 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)-N-(furan-2-ylmethyl)pyrazol-3-amine is sourced from PubChem (CID 122168918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).