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

C11H10F3N3OS — CID 3707798

IUPAC1-methyl-N-prop-2-enyl-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide
SMILESC=CCNC(=O)c1cc2c(C(F)(F)F)nn(C)c2s1
InChIInChI=1S/C11H10F3N3OS/c1-3-4-15-9(18)7-5-6-8(11(12,13)14)16-17(2)10(6)19-7/h3,5H,1,4H2,2H3,(H,15,18)
InChIKeyZOYSMKMNDPHVTB-UHFFFAOYSA-N
MW289.28 g/mol
LogP2.57
Rot. Bonds3

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

1-methyl-N-prop-2-enyl-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide (PubChem CID 3707798) has the molecular formula C11H10F3N3OS and a molecular weight of 289.28 g/mol. Its IUPAC name is 1-methyl-N-prop-2-enyl-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide.

Molecular Properties

Compound Name1-methyl-N-prop-2-enyl-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide
PubChem CID3707798
Molecular FormulaC11H10F3N3OS
Molecular Weight289.28 g/mol
Exact Mass289.05
IUPAC Name1-methyl-N-prop-2-enyl-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide
SMILESC=CCNC(=O)c1cc2c(C(F)(F)F)nn(C)c2s1
InChIInChI=1S/C11H10F3N3OS/c1-3-4-15-9(18)7-5-6-8(11(12,13)14)16-17(2)10(6)19-7/h3,5H,1,4H2,2H3,(H,15,18)
InChIKeyZOYSMKMNDPHVTB-UHFFFAOYSA-N
XLogP2.57
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.28
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-prop-2-enyl-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide?
The IUPAC name of 1-methyl-N-prop-2-enyl-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide (CID 3707798) is 1-methyl-N-prop-2-enyl-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide.
What is the SMILES notation for 1-methyl-N-prop-2-enyl-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide?
The canonical SMILES for 1-methyl-N-prop-2-enyl-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide is C=CCNC(=O)c1cc2c(C(F)(F)F)nn(C)c2s1.
What is the InChIKey of 1-methyl-N-prop-2-enyl-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide?
The InChIKey is ZOYSMKMNDPHVTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N3OS/c1-3-4-15-9(18)7-5-6-8(11(12,13)14)16-17(2)10(6)19-7/h3,5H,1,4H2,2H3,(H,15,18).
What are the key properties of 1-methyl-N-prop-2-enyl-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide?
1-methyl-N-prop-2-enyl-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide has a molecular weight of 289.28 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-prop-2-enyl-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide is sourced from PubChem (CID 3707798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).