N-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]-1-thiophen-2-ylmethanamine

C11H12F3N3S — CID 122168185

IUPACN-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]-1-thiophen-2-ylmethanamine
SMILESCn1nc(C(F)(F)F)cc1CNCc1cccs1
InChIInChI=1S/C11H12F3N3S/c1-17-8(5-10(16-17)11(12,13)14)6-15-7-9-3-2-4-18-9/h2-5,15H,6-7H2,1H3
InChIKeyPRXPAHPDIYEZIT-UHFFFAOYSA-N
MW275.30 g/mol
LogP2.79
Rot. Bonds4

About N-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]-1-thiophen-2-ylmethanamine

N-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]-1-thiophen-2-ylmethanamine (PubChem CID 122168185) has the molecular formula C11H12F3N3S and a molecular weight of 275.30 g/mol. Its IUPAC name is N-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]-1-thiophen-2-ylmethanamine.

Molecular Properties

Compound NameN-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]-1-thiophen-2-ylmethanamine
PubChem CID122168185
Molecular FormulaC11H12F3N3S
Molecular Weight275.30 g/mol
Exact Mass275.07
IUPAC NameN-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]-1-thiophen-2-ylmethanamine
SMILESCn1nc(C(F)(F)F)cc1CNCc1cccs1
InChIInChI=1S/C11H12F3N3S/c1-17-8(5-10(16-17)11(12,13)14)6-15-7-9-3-2-4-18-9/h2-5,15H,6-7H2,1H3
InChIKeyPRXPAHPDIYEZIT-UHFFFAOYSA-N
XLogP2.79
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]-1-thiophen-2-ylmethanamine?
The IUPAC name of N-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]-1-thiophen-2-ylmethanamine (CID 122168185) is N-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]-1-thiophen-2-ylmethanamine.
What is the SMILES notation for N-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]-1-thiophen-2-ylmethanamine?
The canonical SMILES for N-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]-1-thiophen-2-ylmethanamine is Cn1nc(C(F)(F)F)cc1CNCc1cccs1.
What is the InChIKey of N-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]-1-thiophen-2-ylmethanamine?
The InChIKey is PRXPAHPDIYEZIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3N3S/c1-17-8(5-10(16-17)11(12,13)14)6-15-7-9-3-2-4-18-9/h2-5,15H,6-7H2,1H3.
What are the key properties of N-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]-1-thiophen-2-ylmethanamine?
N-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]-1-thiophen-2-ylmethanamine has a molecular weight of 275.30 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]-1-thiophen-2-ylmethanamine is sourced from PubChem (CID 122168185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).