N-(2-ethyl-5-methylpyrazol-3-yl)-1-methyl-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide

C14H14F3N5OS — CID 19617203

IUPACN-(2-ethyl-5-methylpyrazol-3-yl)-1-methyl-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide
SMILESCCn1nc(C)cc1NC(=O)c1cc2c(C(F)(F)F)nn(C)c2s1
InChIInChI=1S/C14H14F3N5OS/c1-4-22-10(5-7(2)19-22)18-12(23)9-6-8-11(14(15,16)17)20-21(3)13(8)24-9/h5-6H,4H2,1-3H3,(H,18,23)
InChIKeyIIZIIEJXLLLRFP-UHFFFAOYSA-N
MW357.36 g/mol
LogP3.43
Rot. Bonds3

About N-(2-ethyl-5-methylpyrazol-3-yl)-1-methyl-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide

N-(2-ethyl-5-methylpyrazol-3-yl)-1-methyl-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide (PubChem CID 19617203) has the molecular formula C14H14F3N5OS and a molecular weight of 357.36 g/mol. Its IUPAC name is N-(2-ethyl-5-methylpyrazol-3-yl)-1-methyl-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-ethyl-5-methylpyrazol-3-yl)-1-methyl-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide
PubChem CID19617203
Molecular FormulaC14H14F3N5OS
Molecular Weight357.36 g/mol
Exact Mass357.09
IUPAC NameN-(2-ethyl-5-methylpyrazol-3-yl)-1-methyl-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide
SMILESCCn1nc(C)cc1NC(=O)c1cc2c(C(F)(F)F)nn(C)c2s1
InChIInChI=1S/C14H14F3N5OS/c1-4-22-10(5-7(2)19-22)18-12(23)9-6-8-11(14(15,16)17)20-21(3)13(8)24-9/h5-6H,4H2,1-3H3,(H,18,23)
InChIKeyIIZIIEJXLLLRFP-UHFFFAOYSA-N
XLogP3.43
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.36
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-5-methylpyrazol-3-yl)-1-methyl-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide?
The IUPAC name of N-(2-ethyl-5-methylpyrazol-3-yl)-1-methyl-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide (CID 19617203) is N-(2-ethyl-5-methylpyrazol-3-yl)-1-methyl-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide.
What is the SMILES notation for N-(2-ethyl-5-methylpyrazol-3-yl)-1-methyl-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide?
The canonical SMILES for N-(2-ethyl-5-methylpyrazol-3-yl)-1-methyl-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide is CCn1nc(C)cc1NC(=O)c1cc2c(C(F)(F)F)nn(C)c2s1.
What is the InChIKey of N-(2-ethyl-5-methylpyrazol-3-yl)-1-methyl-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide?
The InChIKey is IIZIIEJXLLLRFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N5OS/c1-4-22-10(5-7(2)19-22)18-12(23)9-6-8-11(14(15,16)17)20-21(3)13(8)24-9/h5-6H,4H2,1-3H3,(H,18,23).
What are the key properties of N-(2-ethyl-5-methylpyrazol-3-yl)-1-methyl-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide?
N-(2-ethyl-5-methylpyrazol-3-yl)-1-methyl-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide has a molecular weight of 357.36 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-5-methylpyrazol-3-yl)-1-methyl-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide is sourced from PubChem (CID 19617203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).