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

C24H20FN5OS — CID 55461690

IUPACN-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
SMILESCc1nn(-c2ccccc2)c2sc(C(=O)NC(c3ccc(F)cc3)c3nccn3C)cc12
InChIInChI=1S/C24H20FN5OS/c1-15-19-14-20(32-24(19)30(28-15)18-6-4-3-5-7-18)23(31)27-21(22-26-12-13-29(22)2)16-8-10-17(25)11-9-16/h3-14,21H,1-2H3,(H,27,31)
InChIKeyQAGVRPNMRMWBGK-UHFFFAOYSA-N
MW445.52 g/mol
LogP4.79
Rot. Bonds5

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

N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide (PubChem CID 55461690) has the molecular formula C24H20FN5OS and a molecular weight of 445.52 g/mol. Its IUPAC name is N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
PubChem CID55461690
Molecular FormulaC24H20FN5OS
Molecular Weight445.52 g/mol
Exact Mass445.14
IUPAC NameN-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
SMILESCc1nn(-c2ccccc2)c2sc(C(=O)NC(c3ccc(F)cc3)c3nccn3C)cc12
InChIInChI=1S/C24H20FN5OS/c1-15-19-14-20(32-24(19)30(28-15)18-6-4-3-5-7-18)23(31)27-21(22-26-12-13-29(22)2)16-8-10-17(25)11-9-16/h3-14,21H,1-2H3,(H,27,31)
InChIKeyQAGVRPNMRMWBGK-UHFFFAOYSA-N
XLogP4.79
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.52
LogP ≤ 54.79
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-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-1-[(4-fluorophenyl)methyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 43013937
1-(4-fluorophenyl)-3-methyl-N-[(1R)-1-phenylethyl]thieno[3,2-d]pyrazole-5-carboxamide
CID 95053217
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-oxoacetamide
CID 46698674
3-methyl-1-phenyl-N-[(1R)-1-phenylethyl]thieno[3,2-d]pyrazole-5-carboxamide
CID 29096780
3-methyl-1-phenyl-N-[(1S)-1-phenylethyl]thieno[3,2-d]pyrazole-5-carboxamide
CID 29096781
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 16575164
1-(4-fluorophenyl)-3-methyl-N-pyridin-2-ylthieno[3,2-d]pyrazole-5-carboxamide
CID 18107121
3-methyl-N'-(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)-1-phenylthieno[3,2-d]pyrazole-5-carbohydrazide
CID 3226614
N-[(1R)-1-(2-ethylpyrazol-3-yl)ethyl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
CID 29096960
(1-methylimidazol-2-yl)methyl 3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxylate
CID 4797615
methyl (2R)-3-methyl-2-[(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)amino]butanoate
CID 2520796

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide (CID 55461690) is N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide is Cc1nn(-c2ccccc2)c2sc(C(=O)NC(c3ccc(F)cc3)c3nccn3C)cc12.
What is the InChIKey of N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide?
The InChIKey is QAGVRPNMRMWBGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FN5OS/c1-15-19-14-20(32-24(19)30(28-15)18-6-4-3-5-7-18)23(31)27-21(22-26-12-13-29(22)2)16-8-10-17(25)11-9-16/h3-14,21H,1-2H3,(H,27,31).
What are the key properties of N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide?
N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide has a molecular weight of 445.52 g/mol, XLogP of 4.79, 5 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]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide is sourced from PubChem (CID 55461690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).