2-(2,5-dimethylpyrazol-3-yl)sulfanyl-N-(2,2,2-trifluoroethyl)propan-1-amine

C10H16F3N3S — CID 62581912

IUPAC2-(2,5-dimethylpyrazol-3-yl)sulfanyl-N-(2,2,2-trifluoroethyl)propan-1-amine
SMILESCc1cc(SC(C)CNCC(F)(F)F)n(C)n1
InChIInChI=1S/C10H16F3N3S/c1-7-4-9(16(3)15-7)17-8(2)5-14-6-10(11,12)13/h4,8,14H,5-6H2,1-3H3
InChIKeyHMWUHQLQPVINSX-UHFFFAOYSA-N
MW267.32 g/mol
LogP2.36
Rot. Bonds5

About 2-(2,5-dimethylpyrazol-3-yl)sulfanyl-N-(2,2,2-trifluoroethyl)propan-1-amine

2-(2,5-dimethylpyrazol-3-yl)sulfanyl-N-(2,2,2-trifluoroethyl)propan-1-amine (PubChem CID 62581912) has the molecular formula C10H16F3N3S and a molecular weight of 267.32 g/mol. Its IUPAC name is 2-(2,5-dimethylpyrazol-3-yl)sulfanyl-N-(2,2,2-trifluoroethyl)propan-1-amine.

Molecular Properties

Compound Name2-(2,5-dimethylpyrazol-3-yl)sulfanyl-N-(2,2,2-trifluoroethyl)propan-1-amine
PubChem CID62581912
Molecular FormulaC10H16F3N3S
Molecular Weight267.32 g/mol
Exact Mass267.10
IUPAC Name2-(2,5-dimethylpyrazol-3-yl)sulfanyl-N-(2,2,2-trifluoroethyl)propan-1-amine
SMILESCc1cc(SC(C)CNCC(F)(F)F)n(C)n1
InChIInChI=1S/C10H16F3N3S/c1-7-4-9(16(3)15-7)17-8(2)5-14-6-10(11,12)13/h4,8,14H,5-6H2,1-3H3
InChIKeyHMWUHQLQPVINSX-UHFFFAOYSA-N
XLogP2.36
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylpyrazol-3-yl)sulfanyl-N-(2,2,2-trifluoroethyl)propan-1-amine?
The IUPAC name of 2-(2,5-dimethylpyrazol-3-yl)sulfanyl-N-(2,2,2-trifluoroethyl)propan-1-amine (CID 62581912) is 2-(2,5-dimethylpyrazol-3-yl)sulfanyl-N-(2,2,2-trifluoroethyl)propan-1-amine.
What is the SMILES notation for 2-(2,5-dimethylpyrazol-3-yl)sulfanyl-N-(2,2,2-trifluoroethyl)propan-1-amine?
The canonical SMILES for 2-(2,5-dimethylpyrazol-3-yl)sulfanyl-N-(2,2,2-trifluoroethyl)propan-1-amine is Cc1cc(SC(C)CNCC(F)(F)F)n(C)n1.
What is the InChIKey of 2-(2,5-dimethylpyrazol-3-yl)sulfanyl-N-(2,2,2-trifluoroethyl)propan-1-amine?
The InChIKey is HMWUHQLQPVINSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3N3S/c1-7-4-9(16(3)15-7)17-8(2)5-14-6-10(11,12)13/h4,8,14H,5-6H2,1-3H3.
What are the key properties of 2-(2,5-dimethylpyrazol-3-yl)sulfanyl-N-(2,2,2-trifluoroethyl)propan-1-amine?
2-(2,5-dimethylpyrazol-3-yl)sulfanyl-N-(2,2,2-trifluoroethyl)propan-1-amine has a molecular weight of 267.32 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylpyrazol-3-yl)sulfanyl-N-(2,2,2-trifluoroethyl)propan-1-amine is sourced from PubChem (CID 62581912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).