N-[1-[(3-cyanophenyl)methyl]pyrazol-4-yl]-6-phenyl-1H-indazole-3-carboxamide

C25H18N6O — CID 71259783

IUPACN-[1-[(3-cyanophenyl)methyl]pyrazol-4-yl]-6-phenyl-1H-indazole-3-carboxamide
SMILESN#Cc1cccc(Cn2cc(NC(=O)c3n[nH]c4cc(-c5ccccc5)ccc34)cn2)c1
InChIInChI=1S/C25H18N6O/c26-13-17-5-4-6-18(11-17)15-31-16-21(14-27-31)28-25(32)24-22-10-9-20(12-23(22)29-30-24)19-7-2-1-3-8-19/h1-12,14,16H,15H2,(H,28,32)(H,29,30)
InChIKeyQARHDYJSZZBQPY-UHFFFAOYSA-N
MW418.46 g/mol
LogP4.60
Rot. Bonds5

About N-[1-[(3-cyanophenyl)methyl]pyrazol-4-yl]-6-phenyl-1H-indazole-3-carboxamide

N-[1-[(3-cyanophenyl)methyl]pyrazol-4-yl]-6-phenyl-1H-indazole-3-carboxamide (PubChem CID 71259783) has the molecular formula C25H18N6O and a molecular weight of 418.46 g/mol. Its IUPAC name is N-[1-[(3-cyanophenyl)methyl]pyrazol-4-yl]-6-phenyl-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-[(3-cyanophenyl)methyl]pyrazol-4-yl]-6-phenyl-1H-indazole-3-carboxamide
PubChem CID71259783
Molecular FormulaC25H18N6O
Molecular Weight418.46 g/mol
Exact Mass418.15
IUPAC NameN-[1-[(3-cyanophenyl)methyl]pyrazol-4-yl]-6-phenyl-1H-indazole-3-carboxamide
SMILESN#Cc1cccc(Cn2cc(NC(=O)c3n[nH]c4cc(-c5ccccc5)ccc34)cn2)c1
InChIInChI=1S/C25H18N6O/c26-13-17-5-4-6-18(11-17)15-31-16-21(14-27-31)28-25(32)24-22-10-9-20(12-23(22)29-30-24)19-7-2-1-3-8-19/h1-12,14,16H,15H2,(H,28,32)(H,29,30)
InChIKeyQARHDYJSZZBQPY-UHFFFAOYSA-N
XLogP4.60
TPSA99.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.46
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-cyanobutyl)-N-(2-phenylpropan-2-yl)-1H-indazole-3-carboxamide
CID 117650402
N-{1-[(1s)-3-(Dimethylamino)-1-Phenylpropyl]-1h-Pyrazol-4-Yl}-6-(1h-Pyrazol-4-Yl)-1h-Indazole-3-Carboxamide
CID 71259491
N-{1-[(1r)-3-(Dimethylamino)-1-Phenylpropyl]-1h-Pyrazol-4-Yl}-6-(1h-Pyrazol-4-Yl)-1h-Indazole-3-Carboxamide
CID 71259555
N-[1-(3-Cyanobenzyl)-1h-Pyrazol-4-Yl]-6-(1h-Pyrazol-4-Yl)-1h-Indazole-3-Carboxamide
CID 71267243
Gne-9822
CID 74983355
N-[1-(3-Cyanobenzyl)-1h-Pyrazol-4-Yl]-2h-Indazole-3-Carboxamide
CID 3722581
N-[5-(1-benzyltriazol-4-yl)-1H-indazol-3-yl]benzamide
CID 25164676
N-[1-[(1R)-2-hydroxy-1-phenylethyl]pyrazol-4-yl]-6-(1H-pyrazol-4-yl)-1H-indazole-3-carboxamide
CID 71259598
N-[1-[(1S)-1-phenylpropyl]pyrazol-4-yl]-6-(1H-pyrazol-4-yl)-1H-indazole-3-carboxamide
CID 71259641
N-[1-[(1S)-2-hydroxy-2-methyl-1-phenylpropyl]pyrazol-4-yl]-6-(1H-pyrazol-4-yl)-1H-indazole-3-carboxamide
CID 71267318
N-[1-[(1R)-2-hydroxy-2-methyl-1-phenylpropyl]pyrazol-4-yl]-6-(1H-pyrazol-4-yl)-1H-indazole-3-carboxamide
CID 71267326
N-(1-benzylpyrazol-4-yl)-5,5-difluoro-5a-methyl-1,4,4a,6-tetrahydrocyclopropa[f]indazole-3-carboxamide
CID 73293782

Frequently Asked Questions

What is the IUPAC name of N-[1-[(3-cyanophenyl)methyl]pyrazol-4-yl]-6-phenyl-1H-indazole-3-carboxamide?
The IUPAC name of N-[1-[(3-cyanophenyl)methyl]pyrazol-4-yl]-6-phenyl-1H-indazole-3-carboxamide (CID 71259783) is N-[1-[(3-cyanophenyl)methyl]pyrazol-4-yl]-6-phenyl-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[1-[(3-cyanophenyl)methyl]pyrazol-4-yl]-6-phenyl-1H-indazole-3-carboxamide?
The canonical SMILES for N-[1-[(3-cyanophenyl)methyl]pyrazol-4-yl]-6-phenyl-1H-indazole-3-carboxamide is N#Cc1cccc(Cn2cc(NC(=O)c3n[nH]c4cc(-c5ccccc5)ccc34)cn2)c1.
What is the InChIKey of N-[1-[(3-cyanophenyl)methyl]pyrazol-4-yl]-6-phenyl-1H-indazole-3-carboxamide?
The InChIKey is QARHDYJSZZBQPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18N6O/c26-13-17-5-4-6-18(11-17)15-31-16-21(14-27-31)28-25(32)24-22-10-9-20(12-23(22)29-30-24)19-7-2-1-3-8-19/h1-12,14,16H,15H2,(H,28,32)(H,29,30).
What are the key properties of N-[1-[(3-cyanophenyl)methyl]pyrazol-4-yl]-6-phenyl-1H-indazole-3-carboxamide?
N-[1-[(3-cyanophenyl)methyl]pyrazol-4-yl]-6-phenyl-1H-indazole-3-carboxamide has a molecular weight of 418.46 g/mol, XLogP of 4.60, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3-cyanophenyl)methyl]pyrazol-4-yl]-6-phenyl-1H-indazole-3-carboxamide is sourced from PubChem (CID 71259783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).