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

C15H16F3N5OS — CID 29097873

IUPACN-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-1-methyl-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide
SMILESCCn1ncc(CNC(=O)c2cc3c(C(F)(F)F)nn(C)c3s2)c1C
InChIInChI=1S/C15H16F3N5OS/c1-4-23-8(2)9(7-20-23)6-19-13(24)11-5-10-12(15(16,17)18)21-22(3)14(10)25-11/h5,7H,4,6H2,1-3H3,(H,19,24)
InChIKeyMWJMIFYDJATIPO-UHFFFAOYSA-N
MW371.39 g/mol
LogP3.11
Rot. Bonds4

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

N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-1-methyl-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide (PubChem CID 29097873) has the molecular formula C15H16F3N5OS and a molecular weight of 371.39 g/mol. Its IUPAC name is N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-1-methyl-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-1-methyl-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide
PubChem CID29097873
Molecular FormulaC15H16F3N5OS
Molecular Weight371.39 g/mol
Exact Mass371.10
IUPAC NameN-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-1-methyl-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide
SMILESCCn1ncc(CNC(=O)c2cc3c(C(F)(F)F)nn(C)c3s2)c1C
InChIInChI=1S/C15H16F3N5OS/c1-4-23-8(2)9(7-20-23)6-19-13(24)11-5-10-12(15(16,17)18)21-22(3)14(10)25-11/h5,7H,4,6H2,1-3H3,(H,19,24)
InChIKeyMWJMIFYDJATIPO-UHFFFAOYSA-N
XLogP3.11
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.39
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-1-methyl-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide?
The IUPAC name of N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-1-methyl-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide (CID 29097873) is N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-1-methyl-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide.
What is the SMILES notation for N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-1-methyl-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide?
The canonical SMILES for N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-1-methyl-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide is CCn1ncc(CNC(=O)c2cc3c(C(F)(F)F)nn(C)c3s2)c1C.
What is the InChIKey of N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-1-methyl-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide?
The InChIKey is MWJMIFYDJATIPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N5OS/c1-4-23-8(2)9(7-20-23)6-19-13(24)11-5-10-12(15(16,17)18)21-22(3)14(10)25-11/h5,7H,4,6H2,1-3H3,(H,19,24).
What are the key properties of N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-1-methyl-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide?
N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-1-methyl-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide has a molecular weight of 371.39 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-1-methyl-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide is sourced from PubChem (CID 29097873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).