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

C25H21ClFN5OS — CID 43013937

IUPACN-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-1-[(4-fluorophenyl)methyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide
SMILESCc1nn(Cc2ccc(F)cc2)c2sc(C(=O)NC(c3ccc(Cl)cc3)c3nccn3C)cc12
InChIInChI=1S/C25H21ClFN5OS/c1-15-20-13-21(34-25(20)32(30-15)14-16-3-9-19(27)10-4-16)24(33)29-22(23-28-11-12-31(23)2)17-5-7-18(26)8-6-17/h3-13,22H,14H2,1-2H3,(H,29,33)
InChIKeyUCPCUCSVUQJOPG-UHFFFAOYSA-N
MW494.00 g/mol
LogP5.50
Rot. Bonds6

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

N-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-1-[(4-fluorophenyl)methyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide (PubChem CID 43013937) has the molecular formula C25H21ClFN5OS and a molecular weight of 494.00 g/mol. Its IUPAC name is N-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-1-[(4-fluorophenyl)methyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-1-[(4-fluorophenyl)methyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide
PubChem CID43013937
Molecular FormulaC25H21ClFN5OS
Molecular Weight494.00 g/mol
Exact Mass493.11
IUPAC NameN-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-1-[(4-fluorophenyl)methyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide
SMILESCc1nn(Cc2ccc(F)cc2)c2sc(C(=O)NC(c3ccc(Cl)cc3)c3nccn3C)cc12
InChIInChI=1S/C25H21ClFN5OS/c1-15-20-13-21(34-25(20)32(30-15)14-16-3-9-19(27)10-4-16)24(33)29-22(23-28-11-12-31(23)2)17-5-7-18(26)8-6-17/h3-13,22H,14H2,1-2H3,(H,29,33)
InChIKeyUCPCUCSVUQJOPG-UHFFFAOYSA-N
XLogP5.50
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.00
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide
CID 42932073
N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
CID 55461690
1-[(4-chlorophenyl)methyl]-3-methyl-N-propan-2-ylthieno[3,2-d]pyrazole-5-carboxamide
CID 27647797
N-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-5-fluoro-1-benzothiophene-2-carboxamide
CID 24532879
1-[(4-chlorophenyl)methyl]-3-methyl-N-(1,3-thiazol-2-yl)thieno[3,2-d]pyrazole-5-carboxamide
CID 8762600
N-(2-chloro-4-fluorophenyl)-1-[(4-fluorophenyl)methyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 26586135
1-[(4-chlorophenyl)methyl]-3-methyl-N-(1-pyridin-2-ylethyl)thieno[3,2-d]pyrazole-5-carboxamide
CID 112758871
5-chloro-N-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]thiophene-2-carboxamide
CID 25344825
3,5-dichloro-N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]benzamide
CID 46512997
N-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-2-[(4-fluorophenyl)methoxy]benzamide
CID 45355242
2-(3,4-dichlorophenyl)-N-[(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 25358319
N-(3-aminopropyl)-1-[(4-chlorophenyl)methyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-1-[(4-fluorophenyl)methyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide?
The IUPAC name of N-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-1-[(4-fluorophenyl)methyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide (CID 43013937) is N-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-1-[(4-fluorophenyl)methyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide.
What is the SMILES notation for N-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-1-[(4-fluorophenyl)methyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide?
The canonical SMILES for N-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-1-[(4-fluorophenyl)methyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide is Cc1nn(Cc2ccc(F)cc2)c2sc(C(=O)NC(c3ccc(Cl)cc3)c3nccn3C)cc12.
What is the InChIKey of N-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-1-[(4-fluorophenyl)methyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide?
The InChIKey is UCPCUCSVUQJOPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21ClFN5OS/c1-15-20-13-21(34-25(20)32(30-15)14-16-3-9-19(27)10-4-16)24(33)29-22(23-28-11-12-31(23)2)17-5-7-18(26)8-6-17/h3-13,22H,14H2,1-2H3,(H,29,33).
What are the key properties of N-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-1-[(4-fluorophenyl)methyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide?
N-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-1-[(4-fluorophenyl)methyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide has a molecular weight of 494.00 g/mol, XLogP of 5.50, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-1-[(4-fluorophenyl)methyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide is sourced from PubChem (CID 43013937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).