N-(benzimidazol-1-yl)-1-[(4-fluorophenyl)methyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide

C21H16FN5OS — CID 35983611

IUPACN-(benzimidazol-1-yl)-1-[(4-fluorophenyl)methyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide
SMILESCc1nn(Cc2ccc(F)cc2)c2sc(C(=O)Nn3cnc4ccccc43)cc12
InChIInChI=1S/C21H16FN5OS/c1-13-16-10-19(20(28)25-27-12-23-17-4-2-3-5-18(17)27)29-21(16)26(24-13)11-14-6-8-15(22)9-7-14/h2-10,12H,11H2,1H3,(H,25,28)
InChIKeyFLBLFKWVAZWEGS-UHFFFAOYSA-N
MW405.46 g/mol
LogP4.33
Rot. Bonds4

About N-(benzimidazol-1-yl)-1-[(4-fluorophenyl)methyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide

N-(benzimidazol-1-yl)-1-[(4-fluorophenyl)methyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide (PubChem CID 35983611) has the molecular formula C21H16FN5OS and a molecular weight of 405.46 g/mol. Its IUPAC name is N-(benzimidazol-1-yl)-1-[(4-fluorophenyl)methyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(benzimidazol-1-yl)-1-[(4-fluorophenyl)methyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide
PubChem CID35983611
Molecular FormulaC21H16FN5OS
Molecular Weight405.46 g/mol
Exact Mass405.11
IUPAC NameN-(benzimidazol-1-yl)-1-[(4-fluorophenyl)methyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide
SMILESCc1nn(Cc2ccc(F)cc2)c2sc(C(=O)Nn3cnc4ccccc43)cc12
InChIInChI=1S/C21H16FN5OS/c1-13-16-10-19(20(28)25-27-12-23-17-4-2-3-5-18(17)27)29-21(16)26(24-13)11-14-6-8-15(22)9-7-14/h2-10,12H,11H2,1H3,(H,25,28)
InChIKeyFLBLFKWVAZWEGS-UHFFFAOYSA-N
XLogP4.33
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.46
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]-1-[(4-fluorophenyl)methyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 24591282
1-[(4-fluorophenyl)methyl]-3-methyl-N-phenylmethoxythieno[3,2-d]pyrazole-5-carboxamide
CID 26179859
N-(3,5-dimethylphenyl)-1-[(4-fluorophenyl)methyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 7960954
1-[(4-fluorophenyl)methyl]-N-(2-methoxyethyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 27659162
N-(2-chloro-4-fluorophenyl)-1-[(4-fluorophenyl)methyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 26586135
N-(3-acetylphenyl)-1-[(4-fluorophenyl)methyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 7958946
N-(4-acetylphenyl)-1-[(4-fluorophenyl)methyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 8712768
1-[(4-fluorophenyl)methyl]-3-methyl-N-[2-(methylamino)propyl]thieno[3,2-d]pyrazole-5-carboxamide
CID 120830677
1-[(4-fluorophenyl)methyl]-N-(4-methoxybutyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 55724715
1-[(4-fluorophenyl)methyl]-3-methyl-N-(2,4,6-trimethyl-3-pyridinyl)thieno[3,2-d]pyrazole-5-carboxamide
CID 78838309
N-[3-(dimethylamino)-2,2-dimethylpropyl]-1-[(4-fluorophenyl)methyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 55332188
azetidin-1-yl-[1-[(4-fluorophenyl)methyl]-3-methylthieno[3,2-d]pyrazol-5-yl]methanone
CID 17423880

Frequently Asked Questions

What is the IUPAC name of N-(benzimidazol-1-yl)-1-[(4-fluorophenyl)methyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide?
The IUPAC name of N-(benzimidazol-1-yl)-1-[(4-fluorophenyl)methyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide (CID 35983611) is N-(benzimidazol-1-yl)-1-[(4-fluorophenyl)methyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide.
What is the SMILES notation for N-(benzimidazol-1-yl)-1-[(4-fluorophenyl)methyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide?
The canonical SMILES for N-(benzimidazol-1-yl)-1-[(4-fluorophenyl)methyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide is Cc1nn(Cc2ccc(F)cc2)c2sc(C(=O)Nn3cnc4ccccc43)cc12.
What is the InChIKey of N-(benzimidazol-1-yl)-1-[(4-fluorophenyl)methyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide?
The InChIKey is FLBLFKWVAZWEGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FN5OS/c1-13-16-10-19(20(28)25-27-12-23-17-4-2-3-5-18(17)27)29-21(16)26(24-13)11-14-6-8-15(22)9-7-14/h2-10,12H,11H2,1H3,(H,25,28).
What are the key properties of N-(benzimidazol-1-yl)-1-[(4-fluorophenyl)methyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide?
N-(benzimidazol-1-yl)-1-[(4-fluorophenyl)methyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide has a molecular weight of 405.46 g/mol, XLogP of 4.33, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzimidazol-1-yl)-1-[(4-fluorophenyl)methyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide is sourced from PubChem (CID 35983611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).