1-(2,2-difluoroethyl)-N-(thiophen-2-ylmethyl)pyrazol-3-amine

C10H11F2N3S — CID 115698089

IUPAC1-(2,2-difluoroethyl)-N-(thiophen-2-ylmethyl)pyrazol-3-amine
SMILESFC(F)Cn1ccc(NCc2cccs2)n1
InChIInChI=1S/C10H11F2N3S/c11-9(12)7-15-4-3-10(14-15)13-6-8-2-1-5-16-8/h1-5,9H,6-7H2,(H,13,14)
InChIKeyVRWRRVYQPGXKNE-UHFFFAOYSA-N
MW243.28 g/mol
LogP2.82
Rot. Bonds5

About 1-(2,2-difluoroethyl)-N-(thiophen-2-ylmethyl)pyrazol-3-amine

1-(2,2-difluoroethyl)-N-(thiophen-2-ylmethyl)pyrazol-3-amine (PubChem CID 115698089) has the molecular formula C10H11F2N3S and a molecular weight of 243.28 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)-N-(thiophen-2-ylmethyl)pyrazol-3-amine.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)-N-(thiophen-2-ylmethyl)pyrazol-3-amine
PubChem CID115698089
Molecular FormulaC10H11F2N3S
Molecular Weight243.28 g/mol
Exact Mass243.06
IUPAC Name1-(2,2-difluoroethyl)-N-(thiophen-2-ylmethyl)pyrazol-3-amine
SMILESFC(F)Cn1ccc(NCc2cccs2)n1
InChIInChI=1S/C10H11F2N3S/c11-9(12)7-15-4-3-10(14-15)13-6-8-2-1-5-16-8/h1-5,9H,6-7H2,(H,13,14)
InChIKeyVRWRRVYQPGXKNE-UHFFFAOYSA-N
XLogP2.82
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.28
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethyl)-N-(thiophen-2-ylmethyl)pyrazol-3-amine?
The IUPAC name of 1-(2,2-difluoroethyl)-N-(thiophen-2-ylmethyl)pyrazol-3-amine (CID 115698089) is 1-(2,2-difluoroethyl)-N-(thiophen-2-ylmethyl)pyrazol-3-amine.
What is the SMILES notation for 1-(2,2-difluoroethyl)-N-(thiophen-2-ylmethyl)pyrazol-3-amine?
The canonical SMILES for 1-(2,2-difluoroethyl)-N-(thiophen-2-ylmethyl)pyrazol-3-amine is FC(F)Cn1ccc(NCc2cccs2)n1.
What is the InChIKey of 1-(2,2-difluoroethyl)-N-(thiophen-2-ylmethyl)pyrazol-3-amine?
The InChIKey is VRWRRVYQPGXKNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2N3S/c11-9(12)7-15-4-3-10(14-15)13-6-8-2-1-5-16-8/h1-5,9H,6-7H2,(H,13,14).
What are the key properties of 1-(2,2-difluoroethyl)-N-(thiophen-2-ylmethyl)pyrazol-3-amine?
1-(2,2-difluoroethyl)-N-(thiophen-2-ylmethyl)pyrazol-3-amine has a molecular weight of 243.28 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethyl)-N-(thiophen-2-ylmethyl)pyrazol-3-amine is sourced from PubChem (CID 115698089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).