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

C15H16F3N5OS — CID 19615793

IUPACN-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-1-methyl-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide
SMILESCc1nn(C)cc1C(C)NC(=O)c1cc2c(C(F)(F)F)nn(C)c2s1
InChIInChI=1S/C15H16F3N5OS/c1-7(10-6-22(3)20-8(10)2)19-13(24)11-5-9-12(15(16,17)18)21-23(4)14(9)25-11/h5-7H,1-4H3,(H,19,24)
InChIKeyFDGFXDHNANXJCX-UHFFFAOYSA-N
MW371.39 g/mol
LogP3.19
Rot. Bonds3

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

N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-1-methyl-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide (PubChem CID 19615793) has the molecular formula C15H16F3N5OS and a molecular weight of 371.39 g/mol. Its IUPAC name is N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-1-methyl-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-1-methyl-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide
PubChem CID19615793
Molecular FormulaC15H16F3N5OS
Molecular Weight371.39 g/mol
Exact Mass371.10
IUPAC NameN-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-1-methyl-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide
SMILESCc1nn(C)cc1C(C)NC(=O)c1cc2c(C(F)(F)F)nn(C)c2s1
InChIInChI=1S/C15H16F3N5OS/c1-7(10-6-22(3)20-8(10)2)19-13(24)11-5-9-12(15(16,17)18)21-23(4)14(9)25-11/h5-7H,1-4H3,(H,19,24)
InChIKeyFDGFXDHNANXJCX-UHFFFAOYSA-N
XLogP3.19
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.39
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-1-methyl-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide?
The IUPAC name of N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-1-methyl-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide (CID 19615793) is N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-1-methyl-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide.
What is the SMILES notation for N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-1-methyl-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide?
The canonical SMILES for N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-1-methyl-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide is Cc1nn(C)cc1C(C)NC(=O)c1cc2c(C(F)(F)F)nn(C)c2s1.
What is the InChIKey of N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-1-methyl-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide?
The InChIKey is FDGFXDHNANXJCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N5OS/c1-7(10-6-22(3)20-8(10)2)19-13(24)11-5-9-12(15(16,17)18)21-23(4)14(9)25-11/h5-7H,1-4H3,(H,19,24).
What are the key properties of N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-1-methyl-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide?
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-1-methyl-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide has a molecular weight of 371.39 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-1-methyl-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide is sourced from PubChem (CID 19615793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).