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

C20H24FN3OS — CID 55495175

IUPACN-[(4-fluorophenyl)methyl]-1,3-dimethyl-N-pentylthieno[3,2-d]pyrazole-5-carboxamide
SMILESCCCCCN(Cc1ccc(F)cc1)C(=O)c1cc2c(C)nn(C)c2s1
InChIInChI=1S/C20H24FN3OS/c1-4-5-6-11-24(13-15-7-9-16(21)10-8-15)19(25)18-12-17-14(2)22-23(3)20(17)26-18/h7-10,12H,4-6,11,13H2,1-3H3
InChIKeyABUMFXNJGFGWNT-UHFFFAOYSA-N
MW373.50 g/mol
LogP4.91
Rot. Bonds7

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

N-[(4-fluorophenyl)methyl]-1,3-dimethyl-N-pentylthieno[3,2-d]pyrazole-5-carboxamide (PubChem CID 55495175) has the molecular formula C20H24FN3OS and a molecular weight of 373.50 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-1,3-dimethyl-N-pentylthieno[3,2-d]pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-1,3-dimethyl-N-pentylthieno[3,2-d]pyrazole-5-carboxamide
PubChem CID55495175
Molecular FormulaC20H24FN3OS
Molecular Weight373.50 g/mol
Exact Mass373.16
IUPAC NameN-[(4-fluorophenyl)methyl]-1,3-dimethyl-N-pentylthieno[3,2-d]pyrazole-5-carboxamide
SMILESCCCCCN(Cc1ccc(F)cc1)C(=O)c1cc2c(C)nn(C)c2s1
InChIInChI=1S/C20H24FN3OS/c1-4-5-6-11-24(13-15-7-9-16(21)10-8-15)19(25)18-12-17-14(2)22-23(3)20(17)26-18/h7-10,12H,4-6,11,13H2,1-3H3
InChIKeyABUMFXNJGFGWNT-UHFFFAOYSA-N
XLogP4.91
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[(4-fluorophenyl)methyl]-1,3-dimethyl-N-pentylthieno[3,2-d]pyrazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(dimethylamino)ethyl]-N-[(3-fluorophenyl)methyl]-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide
CID 60598745
N,N-diethyl-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide
CID 60708120
N,N-bis(2-hydroxyethyl)-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide
CID 61233617
2-[(1,3-dimethylthieno[3,2-d]pyrazole-5-carbonyl)-propylamino]acetic acid
CID 61008919
N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide
CID 51314651
3-[(1,3-dimethylthieno[3,2-d]pyrazole-5-carbonyl)-ethylamino]-2-methylpropanoic acid
CID 62826667
N-[(4-fluorophenyl)methyl]-3-methyl-N-pentyl-1,2-oxazole-5-carboxamide
CID 78810477
1-[(4-fluorophenyl)methyl]-N-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-3-methyl-N-propylthieno[3,2-d]pyrazole-5-carboxamide
CID 43009997
N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide
CID 29426195
N-benzyl-1-(4-fluorophenyl)-N,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide
CID 27665838
N-benzyl-N-(2-methoxyethyl)-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
CID 27826735
N-ethyl-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide
CID 60706910

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-1,3-dimethyl-N-pentylthieno[3,2-d]pyrazole-5-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-1,3-dimethyl-N-pentylthieno[3,2-d]pyrazole-5-carboxamide (CID 55495175) is N-[(4-fluorophenyl)methyl]-1,3-dimethyl-N-pentylthieno[3,2-d]pyrazole-5-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-1,3-dimethyl-N-pentylthieno[3,2-d]pyrazole-5-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-1,3-dimethyl-N-pentylthieno[3,2-d]pyrazole-5-carboxamide is CCCCCN(Cc1ccc(F)cc1)C(=O)c1cc2c(C)nn(C)c2s1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-1,3-dimethyl-N-pentylthieno[3,2-d]pyrazole-5-carboxamide?
The InChIKey is ABUMFXNJGFGWNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN3OS/c1-4-5-6-11-24(13-15-7-9-16(21)10-8-15)19(25)18-12-17-14(2)22-23(3)20(17)26-18/h7-10,12H,4-6,11,13H2,1-3H3.
What are the key properties of N-[(4-fluorophenyl)methyl]-1,3-dimethyl-N-pentylthieno[3,2-d]pyrazole-5-carboxamide?
N-[(4-fluorophenyl)methyl]-1,3-dimethyl-N-pentylthieno[3,2-d]pyrazole-5-carboxamide has a molecular weight of 373.50 g/mol, XLogP of 4.91, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-1,3-dimethyl-N-pentylthieno[3,2-d]pyrazole-5-carboxamide is sourced from PubChem (CID 55495175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).