N-methyl-N-(5-methylthiophen-2-yl)-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridin-4-amine

C15H13F3N4S — CID 153435340

IUPACN-methyl-N-(5-methylthiophen-2-yl)-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridin-4-amine
SMILESCc1ccc(N(C)c2ccnc(-c3cc(C(F)(F)F)[nH]n3)c2)s1
InChIInChI=1S/C15H13F3N4S/c1-9-3-4-14(23-9)22(2)10-5-6-19-11(7-10)12-8-13(21-20-12)15(16,17)18/h3-8H,1-2H3,(H,20,21)
InChIKeyRKWDEIWJXLYGHM-UHFFFAOYSA-N
MW338.36 g/mol
LogP4.63
Rot. Bonds3

About N-methyl-N-(5-methylthiophen-2-yl)-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridin-4-amine

N-methyl-N-(5-methylthiophen-2-yl)-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridin-4-amine (PubChem CID 153435340) has the molecular formula C15H13F3N4S and a molecular weight of 338.36 g/mol. Its IUPAC name is N-methyl-N-(5-methylthiophen-2-yl)-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridin-4-amine.

Molecular Properties

Compound NameN-methyl-N-(5-methylthiophen-2-yl)-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridin-4-amine
PubChem CID153435340
Molecular FormulaC15H13F3N4S
Molecular Weight338.36 g/mol
Exact Mass338.08
IUPAC NameN-methyl-N-(5-methylthiophen-2-yl)-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridin-4-amine
SMILESCc1ccc(N(C)c2ccnc(-c3cc(C(F)(F)F)[nH]n3)c2)s1
InChIInChI=1S/C15H13F3N4S/c1-9-3-4-14(23-9)22(2)10-5-6-19-11(7-10)12-8-13(21-20-12)15(16,17)18/h3-8H,1-2H3,(H,20,21)
InChIKeyRKWDEIWJXLYGHM-UHFFFAOYSA-N
XLogP4.63
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(5-methylthiophen-2-yl)-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridin-4-amine?
The IUPAC name of N-methyl-N-(5-methylthiophen-2-yl)-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridin-4-amine (CID 153435340) is N-methyl-N-(5-methylthiophen-2-yl)-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridin-4-amine.
What is the SMILES notation for N-methyl-N-(5-methylthiophen-2-yl)-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridin-4-amine?
The canonical SMILES for N-methyl-N-(5-methylthiophen-2-yl)-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridin-4-amine is Cc1ccc(N(C)c2ccnc(-c3cc(C(F)(F)F)[nH]n3)c2)s1.
What is the InChIKey of N-methyl-N-(5-methylthiophen-2-yl)-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridin-4-amine?
The InChIKey is RKWDEIWJXLYGHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N4S/c1-9-3-4-14(23-9)22(2)10-5-6-19-11(7-10)12-8-13(21-20-12)15(16,17)18/h3-8H,1-2H3,(H,20,21).
What are the key properties of N-methyl-N-(5-methylthiophen-2-yl)-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridin-4-amine?
N-methyl-N-(5-methylthiophen-2-yl)-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridin-4-amine has a molecular weight of 338.36 g/mol, XLogP of 4.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(5-methylthiophen-2-yl)-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridin-4-amine is sourced from PubChem (CID 153435340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).