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

C14H14F3N5OS — CID 44821551

IUPAC1-methyl-N-[1-(1-methylpyrazol-3-yl)ethyl]-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide
SMILESCC(NC(=O)c1cc2c(C(F)(F)F)nn(C)c2s1)c1ccn(C)n1
InChIInChI=1S/C14H14F3N5OS/c1-7(9-4-5-21(2)19-9)18-12(23)10-6-8-11(14(15,16)17)20-22(3)13(8)24-10/h4-7H,1-3H3,(H,18,23)
InChIKeyLVSGLCXTXXQSJJ-UHFFFAOYSA-N
MW357.36 g/mol
LogP2.88
Rot. Bonds3

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

1-methyl-N-[1-(1-methylpyrazol-3-yl)ethyl]-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide (PubChem CID 44821551) has the molecular formula C14H14F3N5OS and a molecular weight of 357.36 g/mol. Its IUPAC name is 1-methyl-N-[1-(1-methylpyrazol-3-yl)ethyl]-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[1-(1-methylpyrazol-3-yl)ethyl]-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide
PubChem CID44821551
Molecular FormulaC14H14F3N5OS
Molecular Weight357.36 g/mol
Exact Mass357.09
IUPAC Name1-methyl-N-[1-(1-methylpyrazol-3-yl)ethyl]-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide
SMILESCC(NC(=O)c1cc2c(C(F)(F)F)nn(C)c2s1)c1ccn(C)n1
InChIInChI=1S/C14H14F3N5OS/c1-7(9-4-5-21(2)19-9)18-12(23)10-6-8-11(14(15,16)17)20-22(3)13(8)24-10/h4-7H,1-3H3,(H,18,23)
InChIKeyLVSGLCXTXXQSJJ-UHFFFAOYSA-N
XLogP2.88
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.36
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[1-(1-methylpyrazol-3-yl)ethyl]-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide?
The IUPAC name of 1-methyl-N-[1-(1-methylpyrazol-3-yl)ethyl]-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide (CID 44821551) is 1-methyl-N-[1-(1-methylpyrazol-3-yl)ethyl]-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide.
What is the SMILES notation for 1-methyl-N-[1-(1-methylpyrazol-3-yl)ethyl]-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide?
The canonical SMILES for 1-methyl-N-[1-(1-methylpyrazol-3-yl)ethyl]-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide is CC(NC(=O)c1cc2c(C(F)(F)F)nn(C)c2s1)c1ccn(C)n1.
What is the InChIKey of 1-methyl-N-[1-(1-methylpyrazol-3-yl)ethyl]-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide?
The InChIKey is LVSGLCXTXXQSJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N5OS/c1-7(9-4-5-21(2)19-9)18-12(23)10-6-8-11(14(15,16)17)20-22(3)13(8)24-10/h4-7H,1-3H3,(H,18,23).
What are the key properties of 1-methyl-N-[1-(1-methylpyrazol-3-yl)ethyl]-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide?
1-methyl-N-[1-(1-methylpyrazol-3-yl)ethyl]-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide has a molecular weight of 357.36 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[1-(1-methylpyrazol-3-yl)ethyl]-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide is sourced from PubChem (CID 44821551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).