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

C19H18FN5OS — CID 42932073

IUPACN-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide
SMILESCc1nn(C)c2sc(C(=O)NC(c3ccc(F)cc3)c3nccn3C)cc12
InChIInChI=1S/C19H18FN5OS/c1-11-14-10-15(27-19(14)25(3)23-11)18(26)22-16(17-21-8-9-24(17)2)12-4-6-13(20)7-5-12/h4-10,16H,1-3H3,(H,22,26)
InChIKeyWGRAWIFFHCJQFE-UHFFFAOYSA-N
MW383.45 g/mol
LogP3.34
Rot. Bonds4

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

N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide (PubChem CID 42932073) has the molecular formula C19H18FN5OS and a molecular weight of 383.45 g/mol. Its IUPAC name is N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide
PubChem CID42932073
Molecular FormulaC19H18FN5OS
Molecular Weight383.45 g/mol
Exact Mass383.12
IUPAC NameN-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide
SMILESCc1nn(C)c2sc(C(=O)NC(c3ccc(F)cc3)c3nccn3C)cc12
InChIInChI=1S/C19H18FN5OS/c1-11-14-10-15(27-19(14)25(3)23-11)18(26)22-16(17-21-8-9-24(17)2)12-4-6-13(20)7-5-12/h4-10,16H,1-3H3,(H,22,26)
InChIKeyWGRAWIFFHCJQFE-UHFFFAOYSA-N
XLogP3.34
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
CID 55461690
N-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-1-[(4-fluorophenyl)methyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 43013937
N-[(R)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3,4-dimethylbenzamide
CID 25367440
N-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-5-fluoro-1-benzothiophene-2-carboxamide
CID 24532879
4-N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]benzene-1,4-dicarboxamide
CID 51272974
3,5-dichloro-N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]benzamide
CID 46512997
N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3,4,5-trimethoxybenzamide
CID 46516165
3,5-dichloro-N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-4-methoxybenzamide
CID 42921444
N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-4-iodobenzamide
CID 46685190
5-fluoro-N-[(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-methyl-1-benzofuran-2-carboxamide
CID 25358425
7-fluoro-N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-methylquinoline-4-carboxamide
CID 55607345
N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3,5-dimethoxybenzamide
CID 46631561

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide (CID 42932073) is N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide is Cc1nn(C)c2sc(C(=O)NC(c3ccc(F)cc3)c3nccn3C)cc12.
What is the InChIKey of N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide?
The InChIKey is WGRAWIFFHCJQFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN5OS/c1-11-14-10-15(27-19(14)25(3)23-11)18(26)22-16(17-21-8-9-24(17)2)12-4-6-13(20)7-5-12/h4-10,16H,1-3H3,(H,22,26).
What are the key properties of N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide?
N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide has a molecular weight of 383.45 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide is sourced from PubChem (CID 42932073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).