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

C15H13F6N5OS — CID 19616317

IUPAC1-methyl-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide
SMILESCc1cc(C(F)(F)F)nn1CCNC(=O)c1cc2c(C(F)(F)F)nn(C)c2s1
InChIInChI=1S/C15H13F6N5OS/c1-7-5-10(14(16,17)18)23-26(7)4-3-22-12(27)9-6-8-11(15(19,20)21)24-25(2)13(8)28-9/h5-6H,3-4H2,1-2H3,(H,22,27)
InChIKeyVPMVSAYZLUDPOX-UHFFFAOYSA-N
MW425.36 g/mol
LogP3.61
Rot. Bonds4

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

1-methyl-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide (PubChem CID 19616317) has the molecular formula C15H13F6N5OS and a molecular weight of 425.36 g/mol. Its IUPAC name is 1-methyl-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide
PubChem CID19616317
Molecular FormulaC15H13F6N5OS
Molecular Weight425.36 g/mol
Exact Mass425.07
IUPAC Name1-methyl-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide
SMILESCc1cc(C(F)(F)F)nn1CCNC(=O)c1cc2c(C(F)(F)F)nn(C)c2s1
InChIInChI=1S/C15H13F6N5OS/c1-7-5-10(14(16,17)18)23-26(7)4-3-22-12(27)9-6-8-11(15(19,20)21)24-25(2)13(8)28-9/h5-6H,3-4H2,1-2H3,(H,22,27)
InChIKeyVPMVSAYZLUDPOX-UHFFFAOYSA-N
XLogP3.61
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.36
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide?
The IUPAC name of 1-methyl-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide (CID 19616317) is 1-methyl-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide.
What is the SMILES notation for 1-methyl-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide?
The canonical SMILES for 1-methyl-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide is Cc1cc(C(F)(F)F)nn1CCNC(=O)c1cc2c(C(F)(F)F)nn(C)c2s1.
What is the InChIKey of 1-methyl-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide?
The InChIKey is VPMVSAYZLUDPOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F6N5OS/c1-7-5-10(14(16,17)18)23-26(7)4-3-22-12(27)9-6-8-11(15(19,20)21)24-25(2)13(8)28-9/h5-6H,3-4H2,1-2H3,(H,22,27).
What are the key properties of 1-methyl-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide?
1-methyl-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide has a molecular weight of 425.36 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide is sourced from PubChem (CID 19616317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).