N-(4-iodo-1H-indazol-3-yl)-1-(2-methylsulfonylphenyl)pyrazole-4-carboxamide

C18H14IN5O3S — CID 167890008

IUPACN-(4-iodo-1H-indazol-3-yl)-1-(2-methylsulfonylphenyl)pyrazole-4-carboxamide
SMILESCS(=O)(=O)c1ccccc1-n1cc(C(=O)Nc2n[nH]c3cccc(I)c23)cn1
InChIInChI=1S/C18H14IN5O3S/c1-28(26,27)15-8-3-2-7-14(15)24-10-11(9-20-24)18(25)21-17-16-12(19)5-4-6-13(16)22-23-17/h2-10H,1H3,(H2,21,22,23,25)
InChIKeyBUFIXTTWAZNGFW-UHFFFAOYSA-N
MW507.31 g/mol
LogP3.01
Rot. Bonds4

About N-(4-iodo-1H-indazol-3-yl)-1-(2-methylsulfonylphenyl)pyrazole-4-carboxamide

N-(4-iodo-1H-indazol-3-yl)-1-(2-methylsulfonylphenyl)pyrazole-4-carboxamide (PubChem CID 167890008) has the molecular formula C18H14IN5O3S and a molecular weight of 507.31 g/mol. Its IUPAC name is N-(4-iodo-1H-indazol-3-yl)-1-(2-methylsulfonylphenyl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-iodo-1H-indazol-3-yl)-1-(2-methylsulfonylphenyl)pyrazole-4-carboxamide
PubChem CID167890008
Molecular FormulaC18H14IN5O3S
Molecular Weight507.31 g/mol
Exact Mass506.99
IUPAC NameN-(4-iodo-1H-indazol-3-yl)-1-(2-methylsulfonylphenyl)pyrazole-4-carboxamide
SMILESCS(=O)(=O)c1ccccc1-n1cc(C(=O)Nc2n[nH]c3cccc(I)c23)cn1
InChIInChI=1S/C18H14IN5O3S/c1-28(26,27)15-8-3-2-7-14(15)24-10-11(9-20-24)18(25)21-17-16-12(19)5-4-6-13(16)22-23-17/h2-10H,1H3,(H2,21,22,23,25)
InChIKeyBUFIXTTWAZNGFW-UHFFFAOYSA-N
XLogP3.01
TPSA109.74 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500507.31
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(2-methylsulfonylphenyl)pyrazol-4-yl]benzamide
CID 56782351
N-(5-methoxy-1H-indazol-3-yl)-1-(2-methylphenyl)pyrazole-4-carboxamide
CID 167789036
N-[1-(2-methylsulfonylphenyl)pyrazol-4-yl]pyrrolidine-1-carboxamide
CID 56782059
[(3S)-3-(methylamino)piperidin-1-yl]-[1-(2-methylsulfonylphenyl)pyrazol-4-yl]methanone
CID 124575218
N-(3,5-difluorophenyl)-1-(2-fluorophenyl)pyrazole-4-carboxamide
CID 94828526
5-[[1-(2-methylphenyl)pyrazole-4-carbonyl]amino]-1H-indazole-3-carboxamide
CID 167878177
N-[1-(2-methylsulfonylphenyl)pyrazol-4-yl]pyrrolidine-2-carboxamide
CID 119319470
N-(4-chloro-3-methylsulfonylphenyl)-1-phenylpyrazole-4-carboxamide
CID 86806955
1-(2-fluorophenyl)-N-[4-(methylsulfamoyl)phenyl]pyrazole-4-carboxamide
CID 95348121
N-[1-(2-methylsulfonylphenyl)pyrazol-4-yl]-2-thiophen-2-ylacetamide
CID 167988082
N-(1H-indol-3-yl)-1-phenylpyrazole-4-carboxamide
CID 29258148
N-(4-iodo-1H-indazol-3-yl)-3-(1-methylpiperidin-4-yl)propanamide
CID 166329323

Frequently Asked Questions

What is the IUPAC name of N-(4-iodo-1H-indazol-3-yl)-1-(2-methylsulfonylphenyl)pyrazole-4-carboxamide?
The IUPAC name of N-(4-iodo-1H-indazol-3-yl)-1-(2-methylsulfonylphenyl)pyrazole-4-carboxamide (CID 167890008) is N-(4-iodo-1H-indazol-3-yl)-1-(2-methylsulfonylphenyl)pyrazole-4-carboxamide.
What is the SMILES notation for N-(4-iodo-1H-indazol-3-yl)-1-(2-methylsulfonylphenyl)pyrazole-4-carboxamide?
The canonical SMILES for N-(4-iodo-1H-indazol-3-yl)-1-(2-methylsulfonylphenyl)pyrazole-4-carboxamide is CS(=O)(=O)c1ccccc1-n1cc(C(=O)Nc2n[nH]c3cccc(I)c23)cn1.
What is the InChIKey of N-(4-iodo-1H-indazol-3-yl)-1-(2-methylsulfonylphenyl)pyrazole-4-carboxamide?
The InChIKey is BUFIXTTWAZNGFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14IN5O3S/c1-28(26,27)15-8-3-2-7-14(15)24-10-11(9-20-24)18(25)21-17-16-12(19)5-4-6-13(16)22-23-17/h2-10H,1H3,(H2,21,22,23,25).
What are the key properties of N-(4-iodo-1H-indazol-3-yl)-1-(2-methylsulfonylphenyl)pyrazole-4-carboxamide?
N-(4-iodo-1H-indazol-3-yl)-1-(2-methylsulfonylphenyl)pyrazole-4-carboxamide has a molecular weight of 507.31 g/mol, XLogP of 3.01, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-iodo-1H-indazol-3-yl)-1-(2-methylsulfonylphenyl)pyrazole-4-carboxamide is sourced from PubChem (CID 167890008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).