1-(2,2-difluoroethyl)-N-(thiophen-3-ylmethyl)pyrazol-4-amine

C10H11F2N3S — CID 115742598

IUPAC1-(2,2-difluoroethyl)-N-(thiophen-3-ylmethyl)pyrazol-4-amine
SMILESFC(F)Cn1cc(NCc2ccsc2)cn1
InChIInChI=1S/C10H11F2N3S/c11-10(12)6-15-5-9(4-14-15)13-3-8-1-2-16-7-8/h1-2,4-5,7,10,13H,3,6H2
InChIKeyVLVOZSHAGJAJTP-UHFFFAOYSA-N
MW243.28 g/mol
LogP2.82
Rot. Bonds5

About 1-(2,2-difluoroethyl)-N-(thiophen-3-ylmethyl)pyrazol-4-amine

1-(2,2-difluoroethyl)-N-(thiophen-3-ylmethyl)pyrazol-4-amine (PubChem CID 115742598) has the molecular formula C10H11F2N3S and a molecular weight of 243.28 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)-N-(thiophen-3-ylmethyl)pyrazol-4-amine.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)-N-(thiophen-3-ylmethyl)pyrazol-4-amine
PubChem CID115742598
Molecular FormulaC10H11F2N3S
Molecular Weight243.28 g/mol
Exact Mass243.06
IUPAC Name1-(2,2-difluoroethyl)-N-(thiophen-3-ylmethyl)pyrazol-4-amine
SMILESFC(F)Cn1cc(NCc2ccsc2)cn1
InChIInChI=1S/C10H11F2N3S/c11-10(12)6-15-5-9(4-14-15)13-3-8-1-2-16-7-8/h1-2,4-5,7,10,13H,3,6H2
InChIKeyVLVOZSHAGJAJTP-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-3-ylmethyl)pyrazol-4-amine?
The IUPAC name of 1-(2,2-difluoroethyl)-N-(thiophen-3-ylmethyl)pyrazol-4-amine (CID 115742598) is 1-(2,2-difluoroethyl)-N-(thiophen-3-ylmethyl)pyrazol-4-amine.
What is the SMILES notation for 1-(2,2-difluoroethyl)-N-(thiophen-3-ylmethyl)pyrazol-4-amine?
The canonical SMILES for 1-(2,2-difluoroethyl)-N-(thiophen-3-ylmethyl)pyrazol-4-amine is FC(F)Cn1cc(NCc2ccsc2)cn1.
What is the InChIKey of 1-(2,2-difluoroethyl)-N-(thiophen-3-ylmethyl)pyrazol-4-amine?
The InChIKey is VLVOZSHAGJAJTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2N3S/c11-10(12)6-15-5-9(4-14-15)13-3-8-1-2-16-7-8/h1-2,4-5,7,10,13H,3,6H2.
What are the key properties of 1-(2,2-difluoroethyl)-N-(thiophen-3-ylmethyl)pyrazol-4-amine?
1-(2,2-difluoroethyl)-N-(thiophen-3-ylmethyl)pyrazol-4-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-3-ylmethyl)pyrazol-4-amine is sourced from PubChem (CID 115742598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).