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

C9H10F2N4S — CID 115735744

IUPAC1-(2,2-difluoroethyl)-N-(1,3-thiazol-4-ylmethyl)pyrazol-3-amine
SMILESFC(F)Cn1ccc(NCc2cscn2)n1
InChIInChI=1S/C9H10F2N4S/c10-8(11)4-15-2-1-9(14-15)12-3-7-5-16-6-13-7/h1-2,5-6,8H,3-4H2,(H,12,14)
InChIKeyDTGSYCTWLPBKSY-UHFFFAOYSA-N
MW244.27 g/mol
LogP2.22
Rot. Bonds5

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

1-(2,2-difluoroethyl)-N-(1,3-thiazol-4-ylmethyl)pyrazol-3-amine (PubChem CID 115735744) has the molecular formula C9H10F2N4S and a molecular weight of 244.27 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)-N-(1,3-thiazol-4-ylmethyl)pyrazol-3-amine.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)-N-(1,3-thiazol-4-ylmethyl)pyrazol-3-amine
PubChem CID115735744
Molecular FormulaC9H10F2N4S
Molecular Weight244.27 g/mol
Exact Mass244.06
IUPAC Name1-(2,2-difluoroethyl)-N-(1,3-thiazol-4-ylmethyl)pyrazol-3-amine
SMILESFC(F)Cn1ccc(NCc2cscn2)n1
InChIInChI=1S/C9H10F2N4S/c10-8(11)4-15-2-1-9(14-15)12-3-7-5-16-6-13-7/h1-2,5-6,8H,3-4H2,(H,12,14)
InChIKeyDTGSYCTWLPBKSY-UHFFFAOYSA-N
XLogP2.22
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.27
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethyl)-N-(1,3-thiazol-4-ylmethyl)pyrazol-3-amine?
The IUPAC name of 1-(2,2-difluoroethyl)-N-(1,3-thiazol-4-ylmethyl)pyrazol-3-amine (CID 115735744) is 1-(2,2-difluoroethyl)-N-(1,3-thiazol-4-ylmethyl)pyrazol-3-amine.
What is the SMILES notation for 1-(2,2-difluoroethyl)-N-(1,3-thiazol-4-ylmethyl)pyrazol-3-amine?
The canonical SMILES for 1-(2,2-difluoroethyl)-N-(1,3-thiazol-4-ylmethyl)pyrazol-3-amine is FC(F)Cn1ccc(NCc2cscn2)n1.
What is the InChIKey of 1-(2,2-difluoroethyl)-N-(1,3-thiazol-4-ylmethyl)pyrazol-3-amine?
The InChIKey is DTGSYCTWLPBKSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F2N4S/c10-8(11)4-15-2-1-9(14-15)12-3-7-5-16-6-13-7/h1-2,5-6,8H,3-4H2,(H,12,14).
What are the key properties of 1-(2,2-difluoroethyl)-N-(1,3-thiazol-4-ylmethyl)pyrazol-3-amine?
1-(2,2-difluoroethyl)-N-(1,3-thiazol-4-ylmethyl)pyrazol-3-amine has a molecular weight of 244.27 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethyl)-N-(1,3-thiazol-4-ylmethyl)pyrazol-3-amine is sourced from PubChem (CID 115735744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).