N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-5-(1H-inden-2-yl)-4-oxocyclohexa-1,5-diene-1-carboxamide

C26H20FN3O2 — CID 58117251

IUPACN-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-5-(1H-inden-2-yl)-4-oxocyclohexa-1,5-diene-1-carboxamide
SMILESO=C1CC=C(C(=O)Nc2cnn(Cc3ccccc3F)c2)C=C1C1=Cc2ccccc2C1
InChIInChI=1S/C26H20FN3O2/c27-24-8-4-3-7-20(24)15-30-16-22(14-28-30)29-26(32)19-9-10-25(31)23(13-19)21-11-17-5-1-2-6-18(17)12-21/h1-9,11,13-14,16H,10,12,15H2,(H,29,32)
InChIKeyPUOMJTUJTGDKIV-UHFFFAOYSA-N
MW425.46 g/mol
LogP4.47
Rot. Bonds5

About N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-5-(1H-inden-2-yl)-4-oxocyclohexa-1,5-diene-1-carboxamide

N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-5-(1H-inden-2-yl)-4-oxocyclohexa-1,5-diene-1-carboxamide (PubChem CID 58117251) has the molecular formula C26H20FN3O2 and a molecular weight of 425.46 g/mol. Its IUPAC name is N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-5-(1H-inden-2-yl)-4-oxocyclohexa-1,5-diene-1-carboxamide.

Molecular Properties

Compound NameN-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-5-(1H-inden-2-yl)-4-oxocyclohexa-1,5-diene-1-carboxamide
PubChem CID58117251
Molecular FormulaC26H20FN3O2
Molecular Weight425.46 g/mol
Exact Mass425.15
IUPAC NameN-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-5-(1H-inden-2-yl)-4-oxocyclohexa-1,5-diene-1-carboxamide
SMILESO=C1CC=C(C(=O)Nc2cnn(Cc3ccccc3F)c2)C=C1C1=Cc2ccccc2C1
InChIInChI=1S/C26H20FN3O2/c27-24-8-4-3-7-20(24)15-30-16-22(14-28-30)29-26(32)19-9-10-25(31)23(13-19)21-11-17-5-1-2-6-18(17)12-21/h1-9,11,13-14,16H,10,12,15H2,(H,29,32)
InChIKeyPUOMJTUJTGDKIV-UHFFFAOYSA-N
XLogP4.47
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.46
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-5-(1H-inden-2-yl)-4-oxocyclohexa-1,5-diene-1-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-[1-[(3,4-difluorophenyl)methyl]pyrazol-4-yl]-5-[5-[(4-hydroxypiperidin-1-yl)methyl]-1H-inden-2-yl]-4-oxocyclohexa-1,5-diene-1-carboxamide
CID 58117322
N-(1-benzylpyrazol-4-yl)-4-oxo-5-[5-(piperazin-1-ylmethyl)-1H-inden-2-yl]cyclohexa-1,5-diene-1-carboxamide
CID 58117254
N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-2H-chromene-3-carboxamide
CID 75538254
N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]butanamide
CID 19399998
6-(1,3-dioxoisoindol-2-yl)-N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]hexanamide
CID 19399871
1-[2-[[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]amino]-2-oxoethyl]pyrazole-4-carboxylic acid
CID 19502809
N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-2,5-dimethylbenzamide
CID 19399960
1-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-3-propan-2-ylthiourea
CID 17378592
N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-2,4-dimethoxybenzamide
CID 19399965
3-(dimethylamino)-N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]benzamide
CID 35590668
2-(4-chloro-5-methylpyrazol-1-yl)-N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]propanamide
CID 19533688
1-butan-2-yl-3-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]thiourea
CID 19343281

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-5-(1H-inden-2-yl)-4-oxocyclohexa-1,5-diene-1-carboxamide?
The IUPAC name of N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-5-(1H-inden-2-yl)-4-oxocyclohexa-1,5-diene-1-carboxamide (CID 58117251) is N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-5-(1H-inden-2-yl)-4-oxocyclohexa-1,5-diene-1-carboxamide.
What is the SMILES notation for N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-5-(1H-inden-2-yl)-4-oxocyclohexa-1,5-diene-1-carboxamide?
The canonical SMILES for N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-5-(1H-inden-2-yl)-4-oxocyclohexa-1,5-diene-1-carboxamide is O=C1CC=C(C(=O)Nc2cnn(Cc3ccccc3F)c2)C=C1C1=Cc2ccccc2C1.
What is the InChIKey of N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-5-(1H-inden-2-yl)-4-oxocyclohexa-1,5-diene-1-carboxamide?
The InChIKey is PUOMJTUJTGDKIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20FN3O2/c27-24-8-4-3-7-20(24)15-30-16-22(14-28-30)29-26(32)19-9-10-25(31)23(13-19)21-11-17-5-1-2-6-18(17)12-21/h1-9,11,13-14,16H,10,12,15H2,(H,29,32).
What are the key properties of N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-5-(1H-inden-2-yl)-4-oxocyclohexa-1,5-diene-1-carboxamide?
N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-5-(1H-inden-2-yl)-4-oxocyclohexa-1,5-diene-1-carboxamide has a molecular weight of 425.46 g/mol, XLogP of 4.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-5-(1H-inden-2-yl)-4-oxocyclohexa-1,5-diene-1-carboxamide is sourced from PubChem (CID 58117251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).