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

C14H9F4N3OS — CID 2808477

IUPACN-(4-fluorophenyl)-1-methyl-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide
SMILESCn1nc(C(F)(F)F)c2cc(C(=O)Nc3ccc(F)cc3)sc21
InChIInChI=1S/C14H9F4N3OS/c1-21-13-9(11(20-21)14(16,17)18)6-10(23-13)12(22)19-8-4-2-7(15)3-5-8/h2-6H,1H3,(H,19,22)
InChIKeyDCCMYVMQIFJZCT-UHFFFAOYSA-N
MW343.31 g/mol
LogP4.05
Rot. Bonds2

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

N-(4-fluorophenyl)-1-methyl-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide (PubChem CID 2808477) has the molecular formula C14H9F4N3OS and a molecular weight of 343.31 g/mol. Its IUPAC name is N-(4-fluorophenyl)-1-methyl-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-1-methyl-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide
PubChem CID2808477
Molecular FormulaC14H9F4N3OS
Molecular Weight343.31 g/mol
Exact Mass343.04
IUPAC NameN-(4-fluorophenyl)-1-methyl-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide
SMILESCn1nc(C(F)(F)F)c2cc(C(=O)Nc3ccc(F)cc3)sc21
InChIInChI=1S/C14H9F4N3OS/c1-21-13-9(11(20-21)14(16,17)18)6-10(23-13)12(22)19-8-4-2-7(15)3-5-8/h2-6H,1H3,(H,19,22)
InChIKeyDCCMYVMQIFJZCT-UHFFFAOYSA-N
XLogP4.05
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.31
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-methyl-3-(trifluoromethyl)-1H-thieno[2,3-c]pyrazol-5-yl](morpholino)methanone
CID 1471458
CB2 Inhibitor, 2
CID 16376054
N,1-dimethyl-3-phenyl-1H-thieno[2,3-c]pyrazole-5-carboxamide
CID 1484439
3-methyl-N-(3-methylphenyl)-1-phenyl-1H-thieno[2,3-c]pyrazole-5-carboxamide
CID 755153
N-cyclopropyl-3-methyl-1-phenyl-5-thieno[2,3-c]pyrazolecarboxamide
CID 944105
N-(3-chlorophenyl)-3-methyl-1-phenyl-1H-thieno[2,3-c]pyrazole-5-carboxamide
CID 1125181
N-(3-chloro-4-fluorophenyl)-1-methyl-3-(trifluoromethyl)-1H-thieno[2,3-c]pyrazole-5-carboxamide
CID 2808495
N-(4-acetylphenyl)-3-methyl-1-phenyl-1H-thieno[2,3-c]pyrazole-5-carboxamide
CID 1452121
1-cyclohexyl-N-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 44610732
N-[(2R)-1-(4-acetylpiperazin-1-yl)propan-2-yl]-1-methyl-3-phenylthieno[3,2-d]pyrazole-5-carboxamide
CID 46175179
N-[1-(4-acetylpiperazin-1-yl)propan-2-yl]-1-methyl-3-phenylthieno[3,2-d]pyrazole-5-carboxamide
CID 46231930
N-[1-(4-acetylpiperazin-1-yl)propan-2-yl]-3-(2-fluorophenyl)-1-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 46231932

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-1-methyl-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-1-methyl-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide (CID 2808477) is N-(4-fluorophenyl)-1-methyl-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-1-methyl-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-1-methyl-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide is Cn1nc(C(F)(F)F)c2cc(C(=O)Nc3ccc(F)cc3)sc21.
What is the InChIKey of N-(4-fluorophenyl)-1-methyl-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide?
The InChIKey is DCCMYVMQIFJZCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F4N3OS/c1-21-13-9(11(20-21)14(16,17)18)6-10(23-13)12(22)19-8-4-2-7(15)3-5-8/h2-6H,1H3,(H,19,22).
What are the key properties of N-(4-fluorophenyl)-1-methyl-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide?
N-(4-fluorophenyl)-1-methyl-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide has a molecular weight of 343.31 g/mol, XLogP of 4.05, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-1-methyl-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide is sourced from PubChem (CID 2808477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).