1-[(4-fluorophenyl)methyl]-N-[2-hydroxy-3-(3-methylphenoxy)propyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide

C24H24FN3O3S — CID 60583823

IUPAC1-[(4-fluorophenyl)methyl]-N-[2-hydroxy-3-(3-methylphenoxy)propyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide
SMILESCc1cccc(OCC(O)CNC(=O)c2cc3c(C)nn(Cc4ccc(F)cc4)c3s2)c1
InChIInChI=1S/C24H24FN3O3S/c1-15-4-3-5-20(10-15)31-14-19(29)12-26-23(30)22-11-21-16(2)27-28(24(21)32-22)13-17-6-8-18(25)9-7-17/h3-11,19,29H,12-14H2,1-2H3,(H,26,30)
InChIKeyQGPBPKLDTXNEDE-UHFFFAOYSA-N
MW453.54 g/mol
LogP4.07
Rot. Bonds8

About 1-[(4-fluorophenyl)methyl]-N-[2-hydroxy-3-(3-methylphenoxy)propyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide

1-[(4-fluorophenyl)methyl]-N-[2-hydroxy-3-(3-methylphenoxy)propyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide (PubChem CID 60583823) has the molecular formula C24H24FN3O3S and a molecular weight of 453.54 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-N-[2-hydroxy-3-(3-methylphenoxy)propyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-N-[2-hydroxy-3-(3-methylphenoxy)propyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide
PubChem CID60583823
Molecular FormulaC24H24FN3O3S
Molecular Weight453.54 g/mol
Exact Mass453.15
IUPAC Name1-[(4-fluorophenyl)methyl]-N-[2-hydroxy-3-(3-methylphenoxy)propyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide
SMILESCc1cccc(OCC(O)CNC(=O)c2cc3c(C)nn(Cc4ccc(F)cc4)c3s2)c1
InChIInChI=1S/C24H24FN3O3S/c1-15-4-3-5-20(10-15)31-14-19(29)12-26-23(30)22-11-21-16(2)27-28(24(21)32-22)13-17-6-8-18(25)9-7-17/h3-11,19,29H,12-14H2,1-2H3,(H,26,30)
InChIKeyQGPBPKLDTXNEDE-UHFFFAOYSA-N
XLogP4.07
TPSA76.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.54
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(4-fluorophenyl)methyl]-3-methyl-N-[2-(methylamino)propyl]thieno[3,2-d]pyrazole-5-carboxamide
CID 120830677
1-[(4-fluorophenyl)methyl]-N-(2-methoxyethyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 27659162
1-[(4-fluorophenyl)methyl]-3-methyl-N-[(2R)-2-methyl-3-pyrazol-1-ylpropyl]thieno[3,2-d]pyrazole-5-carboxamide
CID 94140701
1-[(4-fluorophenyl)methyl]-N-(4-methoxybutyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 55724715
N-(3,5-dimethylphenyl)-1-[(4-fluorophenyl)methyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 7960954
N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-1-[(4-fluorophenyl)methyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 52687144
1-[(4-fluorophenyl)methyl]-3-methyl-N-phenylmethoxythieno[3,2-d]pyrazole-5-carboxamide
CID 26179859
[(2S)-1-(2-methylpropylamino)-1-oxopropan-2-yl] 1-[(4-fluorophenyl)methyl]-3-methylthieno[3,2-d]pyrazole-5-carboxylate
CID 8735911
N-[3-(dimethylamino)-2,2-dimethylpropyl]-1-[(4-fluorophenyl)methyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 55332188
N-(3-acetylphenyl)-1-[(4-fluorophenyl)methyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 7958946
N-(benzimidazol-1-yl)-1-[(4-fluorophenyl)methyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 35983611
N-(2-chloro-4-fluorophenyl)-1-[(4-fluorophenyl)methyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 26586135

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-N-[2-hydroxy-3-(3-methylphenoxy)propyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-N-[2-hydroxy-3-(3-methylphenoxy)propyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide (CID 60583823) is 1-[(4-fluorophenyl)methyl]-N-[2-hydroxy-3-(3-methylphenoxy)propyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-N-[2-hydroxy-3-(3-methylphenoxy)propyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-N-[2-hydroxy-3-(3-methylphenoxy)propyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide is Cc1cccc(OCC(O)CNC(=O)c2cc3c(C)nn(Cc4ccc(F)cc4)c3s2)c1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-N-[2-hydroxy-3-(3-methylphenoxy)propyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide?
The InChIKey is QGPBPKLDTXNEDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN3O3S/c1-15-4-3-5-20(10-15)31-14-19(29)12-26-23(30)22-11-21-16(2)27-28(24(21)32-22)13-17-6-8-18(25)9-7-17/h3-11,19,29H,12-14H2,1-2H3,(H,26,30).
What are the key properties of 1-[(4-fluorophenyl)methyl]-N-[2-hydroxy-3-(3-methylphenoxy)propyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide?
1-[(4-fluorophenyl)methyl]-N-[2-hydroxy-3-(3-methylphenoxy)propyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide has a molecular weight of 453.54 g/mol, XLogP of 4.07, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-N-[2-hydroxy-3-(3-methylphenoxy)propyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide is sourced from PubChem (CID 60583823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).