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

C11H12F3N3OS — CID 3707800

IUPAC1-methyl-N-propan-2-yl-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide
SMILESCC(C)NC(=O)c1cc2c(C(F)(F)F)nn(C)c2s1
InChIInChI=1S/C11H12F3N3OS/c1-5(2)15-9(18)7-4-6-8(11(12,13)14)16-17(3)10(6)19-7/h4-5H,1-3H3,(H,15,18)
InChIKeyHTTAKXCLLOMRQG-UHFFFAOYSA-N
MW291.30 g/mol
LogP2.79
Rot. Bonds2

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

1-methyl-N-propan-2-yl-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide (PubChem CID 3707800) has the molecular formula C11H12F3N3OS and a molecular weight of 291.30 g/mol. Its IUPAC name is 1-methyl-N-propan-2-yl-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide.

Molecular Properties

Compound Name1-methyl-N-propan-2-yl-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide
PubChem CID3707800
Molecular FormulaC11H12F3N3OS
Molecular Weight291.30 g/mol
Exact Mass291.07
IUPAC Name1-methyl-N-propan-2-yl-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide
SMILESCC(C)NC(=O)c1cc2c(C(F)(F)F)nn(C)c2s1
InChIInChI=1S/C11H12F3N3OS/c1-5(2)15-9(18)7-4-6-8(11(12,13)14)16-17(3)10(6)19-7/h4-5H,1-3H3,(H,15,18)
InChIKeyHTTAKXCLLOMRQG-UHFFFAOYSA-N
XLogP2.79
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.30
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-propan-2-yl-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide?
The IUPAC name of 1-methyl-N-propan-2-yl-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide (CID 3707800) is 1-methyl-N-propan-2-yl-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide.
What is the SMILES notation for 1-methyl-N-propan-2-yl-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide?
The canonical SMILES for 1-methyl-N-propan-2-yl-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide is CC(C)NC(=O)c1cc2c(C(F)(F)F)nn(C)c2s1.
What is the InChIKey of 1-methyl-N-propan-2-yl-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide?
The InChIKey is HTTAKXCLLOMRQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3N3OS/c1-5(2)15-9(18)7-4-6-8(11(12,13)14)16-17(3)10(6)19-7/h4-5H,1-3H3,(H,15,18).
What are the key properties of 1-methyl-N-propan-2-yl-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide?
1-methyl-N-propan-2-yl-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide has a molecular weight of 291.30 g/mol, XLogP of 2.79, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-propan-2-yl-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide is sourced from PubChem (CID 3707800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).