1-methyl-3-(trifluoromethyl)-N-(1,3,5-trimethylpyrazol-4-yl)thieno[3,2-d]pyrazole-5-carboxamide

C14H14F3N5OS — CID 19616283

IUPAC1-methyl-3-(trifluoromethyl)-N-(1,3,5-trimethylpyrazol-4-yl)thieno[3,2-d]pyrazole-5-carboxamide
SMILESCc1nn(C)c(C)c1NC(=O)c1cc2c(C(F)(F)F)nn(C)c2s1
InChIInChI=1S/C14H14F3N5OS/c1-6-10(7(2)21(3)19-6)18-12(23)9-5-8-11(14(15,16)17)20-22(4)13(8)24-9/h5H,1-4H3,(H,18,23)
InChIKeyDTTDHBUCTQBULK-UHFFFAOYSA-N
MW357.36 g/mol
LogP3.26
Rot. Bonds2

About 1-methyl-3-(trifluoromethyl)-N-(1,3,5-trimethylpyrazol-4-yl)thieno[3,2-d]pyrazole-5-carboxamide

1-methyl-3-(trifluoromethyl)-N-(1,3,5-trimethylpyrazol-4-yl)thieno[3,2-d]pyrazole-5-carboxamide (PubChem CID 19616283) has the molecular formula C14H14F3N5OS and a molecular weight of 357.36 g/mol. Its IUPAC name is 1-methyl-3-(trifluoromethyl)-N-(1,3,5-trimethylpyrazol-4-yl)thieno[3,2-d]pyrazole-5-carboxamide.

Molecular Properties

Compound Name1-methyl-3-(trifluoromethyl)-N-(1,3,5-trimethylpyrazol-4-yl)thieno[3,2-d]pyrazole-5-carboxamide
PubChem CID19616283
Molecular FormulaC14H14F3N5OS
Molecular Weight357.36 g/mol
Exact Mass357.09
IUPAC Name1-methyl-3-(trifluoromethyl)-N-(1,3,5-trimethylpyrazol-4-yl)thieno[3,2-d]pyrazole-5-carboxamide
SMILESCc1nn(C)c(C)c1NC(=O)c1cc2c(C(F)(F)F)nn(C)c2s1
InChIInChI=1S/C14H14F3N5OS/c1-6-10(7(2)21(3)19-6)18-12(23)9-5-8-11(14(15,16)17)20-22(4)13(8)24-9/h5H,1-4H3,(H,18,23)
InChIKeyDTTDHBUCTQBULK-UHFFFAOYSA-N
XLogP3.26
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.36
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(trifluoromethyl)-N-(1,3,5-trimethylpyrazol-4-yl)thieno[3,2-d]pyrazole-5-carboxamide?
The IUPAC name of 1-methyl-3-(trifluoromethyl)-N-(1,3,5-trimethylpyrazol-4-yl)thieno[3,2-d]pyrazole-5-carboxamide (CID 19616283) is 1-methyl-3-(trifluoromethyl)-N-(1,3,5-trimethylpyrazol-4-yl)thieno[3,2-d]pyrazole-5-carboxamide.
What is the SMILES notation for 1-methyl-3-(trifluoromethyl)-N-(1,3,5-trimethylpyrazol-4-yl)thieno[3,2-d]pyrazole-5-carboxamide?
The canonical SMILES for 1-methyl-3-(trifluoromethyl)-N-(1,3,5-trimethylpyrazol-4-yl)thieno[3,2-d]pyrazole-5-carboxamide is Cc1nn(C)c(C)c1NC(=O)c1cc2c(C(F)(F)F)nn(C)c2s1.
What is the InChIKey of 1-methyl-3-(trifluoromethyl)-N-(1,3,5-trimethylpyrazol-4-yl)thieno[3,2-d]pyrazole-5-carboxamide?
The InChIKey is DTTDHBUCTQBULK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N5OS/c1-6-10(7(2)21(3)19-6)18-12(23)9-5-8-11(14(15,16)17)20-22(4)13(8)24-9/h5H,1-4H3,(H,18,23).
What are the key properties of 1-methyl-3-(trifluoromethyl)-N-(1,3,5-trimethylpyrazol-4-yl)thieno[3,2-d]pyrazole-5-carboxamide?
1-methyl-3-(trifluoromethyl)-N-(1,3,5-trimethylpyrazol-4-yl)thieno[3,2-d]pyrazole-5-carboxamide has a molecular weight of 357.36 g/mol, XLogP of 3.26, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(trifluoromethyl)-N-(1,3,5-trimethylpyrazol-4-yl)thieno[3,2-d]pyrazole-5-carboxamide is sourced from PubChem (CID 19616283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).