N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]-6-(2,2,2-trifluoroethoxy)pyridin-3-amine

C15H13F3N4OS — CID 78885801

IUPACN-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]-6-(2,2,2-trifluoroethoxy)pyridin-3-amine
SMILESFC(F)(F)COc1ccc(NCc2cn[nH]c2-c2cccs2)cn1
InChIInChI=1S/C15H13F3N4OS/c16-15(17,18)9-23-13-4-3-11(8-20-13)19-6-10-7-21-22-14(10)12-2-1-5-24-12/h1-5,7-8,19H,6,9H2,(H,21,22)
InChIKeyFTJHLPZJOJJKEZ-UHFFFAOYSA-N
MW354.36 g/mol
LogP4.09
Rot. Bonds6

About N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]-6-(2,2,2-trifluoroethoxy)pyridin-3-amine

N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]-6-(2,2,2-trifluoroethoxy)pyridin-3-amine (PubChem CID 78885801) has the molecular formula C15H13F3N4OS and a molecular weight of 354.36 g/mol. Its IUPAC name is N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]-6-(2,2,2-trifluoroethoxy)pyridin-3-amine.

Molecular Properties

Compound NameN-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]-6-(2,2,2-trifluoroethoxy)pyridin-3-amine
PubChem CID78885801
Molecular FormulaC15H13F3N4OS
Molecular Weight354.36 g/mol
Exact Mass354.08
IUPAC NameN-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]-6-(2,2,2-trifluoroethoxy)pyridin-3-amine
SMILESFC(F)(F)COc1ccc(NCc2cn[nH]c2-c2cccs2)cn1
InChIInChI=1S/C15H13F3N4OS/c16-15(17,18)9-23-13-4-3-11(8-20-13)19-6-10-7-21-22-14(10)12-2-1-5-24-12/h1-5,7-8,19H,6,9H2,(H,21,22)
InChIKeyFTJHLPZJOJJKEZ-UHFFFAOYSA-N
XLogP4.09
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.36
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]-6-(2,2,2-trifluoroethoxy)pyridin-3-amine?
The IUPAC name of N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]-6-(2,2,2-trifluoroethoxy)pyridin-3-amine (CID 78885801) is N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]-6-(2,2,2-trifluoroethoxy)pyridin-3-amine.
What is the SMILES notation for N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]-6-(2,2,2-trifluoroethoxy)pyridin-3-amine?
The canonical SMILES for N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]-6-(2,2,2-trifluoroethoxy)pyridin-3-amine is FC(F)(F)COc1ccc(NCc2cn[nH]c2-c2cccs2)cn1.
What is the InChIKey of N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]-6-(2,2,2-trifluoroethoxy)pyridin-3-amine?
The InChIKey is FTJHLPZJOJJKEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N4OS/c16-15(17,18)9-23-13-4-3-11(8-20-13)19-6-10-7-21-22-14(10)12-2-1-5-24-12/h1-5,7-8,19H,6,9H2,(H,21,22).
What are the key properties of N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]-6-(2,2,2-trifluoroethoxy)pyridin-3-amine?
N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]-6-(2,2,2-trifluoroethoxy)pyridin-3-amine has a molecular weight of 354.36 g/mol, XLogP of 4.09, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]-6-(2,2,2-trifluoroethoxy)pyridin-3-amine is sourced from PubChem (CID 78885801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).