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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Related Compounds

N-[4-(1-ethyl-5-methylpyrazol-4-yl)-1,3-thiazol-2-yl]-1-methyl-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide
CID 29092784
N-(2-ethyl-5-methylpyrazol-3-yl)-1-methyl-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide
CID 19617203
N-[1-[(1,3-dimethylpyrazol-4-yl)methyl]pyrazol-4-yl]-1-methyl-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide
CID 29092780
N-[(2S)-3-(4-chloropyrazol-1-yl)-2-methylpropyl]-1-methyl-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide
CID 29092266
ethyl 2-[2-[[1-methyl-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carbonyl]amino]-1,3-thiazol-4-yl]acetate
CID 19617230
1-methyl-N-(2-methylphenyl)-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide
CID 29096728
N-[(3-hydroxypyrrolidin-3-yl)methyl]-1-methyl-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide
CID 56906398
N-[4-(1-ethyl-3-methylpyrazol-4-yl)-1,3-thiazol-2-yl]-1-methyl-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide
CID 19590809
N-ethyl-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide
CID 60706910
N-(3-chloro-2-methylphenyl)-1-methyl-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide
CID 171314963
2-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]acetamide
CID 19519711
N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]butanamide
CID 19290534

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).