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

C14H14F3N5OS — CID 19616306

IUPACN-[(2,5-dimethylpyrazol-3-yl)methyl]-1-methyl-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide
SMILESCc1cc(CNC(=O)c2cc3c(C(F)(F)F)nn(C)c3s2)n(C)n1
InChIInChI=1S/C14H14F3N5OS/c1-7-4-8(21(2)19-7)6-18-12(23)10-5-9-11(14(15,16)17)20-22(3)13(9)24-10/h4-5H,6H2,1-3H3,(H,18,23)
InChIKeyBBULGFCTNPLMMA-UHFFFAOYSA-N
MW357.36 g/mol
LogP2.63
Rot. Bonds3

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

N-[(2,5-dimethylpyrazol-3-yl)methyl]-1-methyl-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide (PubChem CID 19616306) has the molecular formula C14H14F3N5OS and a molecular weight of 357.36 g/mol. Its IUPAC name is N-[(2,5-dimethylpyrazol-3-yl)methyl]-1-methyl-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[(2,5-dimethylpyrazol-3-yl)methyl]-1-methyl-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide
PubChem CID19616306
Molecular FormulaC14H14F3N5OS
Molecular Weight357.36 g/mol
Exact Mass357.09
IUPAC NameN-[(2,5-dimethylpyrazol-3-yl)methyl]-1-methyl-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide
SMILESCc1cc(CNC(=O)c2cc3c(C(F)(F)F)nn(C)c3s2)n(C)n1
InChIInChI=1S/C14H14F3N5OS/c1-7-4-8(21(2)19-7)6-18-12(23)10-5-9-11(14(15,16)17)20-22(3)13(9)24-10/h4-5H,6H2,1-3H3,(H,18,23)
InChIKeyBBULGFCTNPLMMA-UHFFFAOYSA-N
XLogP2.63
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 ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethylpyrazol-3-yl)methyl]-1-methyl-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide?
The IUPAC name of N-[(2,5-dimethylpyrazol-3-yl)methyl]-1-methyl-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide (CID 19616306) is N-[(2,5-dimethylpyrazol-3-yl)methyl]-1-methyl-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide.
What is the SMILES notation for N-[(2,5-dimethylpyrazol-3-yl)methyl]-1-methyl-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide?
The canonical SMILES for N-[(2,5-dimethylpyrazol-3-yl)methyl]-1-methyl-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide is Cc1cc(CNC(=O)c2cc3c(C(F)(F)F)nn(C)c3s2)n(C)n1.
What is the InChIKey of N-[(2,5-dimethylpyrazol-3-yl)methyl]-1-methyl-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide?
The InChIKey is BBULGFCTNPLMMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N5OS/c1-7-4-8(21(2)19-7)6-18-12(23)10-5-9-11(14(15,16)17)20-22(3)13(9)24-10/h4-5H,6H2,1-3H3,(H,18,23).
What are the key properties of N-[(2,5-dimethylpyrazol-3-yl)methyl]-1-methyl-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide?
N-[(2,5-dimethylpyrazol-3-yl)methyl]-1-methyl-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide has a molecular weight of 357.36 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dimethylpyrazol-3-yl)methyl]-1-methyl-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide is sourced from PubChem (CID 19616306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).