N-phenylindazole-1-carboxamide

C14H11N3O — CID 53006427

IUPACN-phenylindazole-1-carboxamide
SMILESO=C(Nc1ccccc1)n1ncc2ccccc21
InChIInChI=1S/C14H11N3O/c18-14(16-12-7-2-1-3-8-12)17-13-9-5-4-6-11(13)10-15-17/h1-10H,(H,16,18)
InChIKeyDWHCOXPLJJGAQC-UHFFFAOYSA-N
MW237.26 g/mol
LogP3.12
Rot. Bonds1

About N-phenylindazole-1-carboxamide

N-phenylindazole-1-carboxamide (PubChem CID 53006427) has the molecular formula C14H11N3O and a molecular weight of 237.26 g/mol. Its IUPAC name is N-phenylindazole-1-carboxamide.

Molecular Properties

Compound NameN-phenylindazole-1-carboxamide
PubChem CID53006427
Molecular FormulaC14H11N3O
Molecular Weight237.26 g/mol
Exact Mass237.09
IUPAC NameN-phenylindazole-1-carboxamide
SMILESO=C(Nc1ccccc1)n1ncc2ccccc21
InChIInChI=1S/C14H11N3O/c18-14(16-12-7-2-1-3-8-12)17-13-9-5-4-6-11(13)10-15-17/h1-10H,(H,16,18)
InChIKeyDWHCOXPLJJGAQC-UHFFFAOYSA-N
XLogP3.12
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-1H-indazole
CID 797066
3-1H-indazol-4-yl-1-{[4-(trifluoromethyl)phenyl]methyl}urea
CID 11416356
3-1H-indazol-4-yl-1-{[3-(trifluoromethyl)phenyl]methyl}urea
CID 22337600
1-[(4-fluorophenyl)methyl]-3-(1-methyl-1H-indazol-4-yl)urea
CID 22337693
1-(1h-Indazol-5-Yl)-3-(2-Phenylethyl)urea
CID 56596554
1-[(1-ethyl-2,3-dihydro-1H-indol-5-yl)methyl]-3-(1-methyl-1H-indazol-4-yl)urea
CID 16749467
3-1H-indazol-4-yl-1-[(1S)-1-(4-methylphenyl)ethyl]urea
CID 24768210
3-1H-indazol-4-yl-1-[(1R)-1-(4-methylphenyl)ethyl]urea
CID 24768211
1-Phenyl-1H-indazole
CID 304268
N-(4-chlorobenzyl)-N'-(1-methyl-1H-indazol-4-yl)urea
CID 22337589
N-[4-(dimethylamino)-1-methyl-1H-indazol-3-yl]-N'-phenylurea
CID 2812681
N-(2,4-dimethylphenyl)-4-methyl-1H-indazole-1-carboxamide
CID 16016793

Frequently Asked Questions

What is the IUPAC name of N-phenylindazole-1-carboxamide?
The IUPAC name of N-phenylindazole-1-carboxamide (CID 53006427) is N-phenylindazole-1-carboxamide.
What is the SMILES notation for N-phenylindazole-1-carboxamide?
The canonical SMILES for N-phenylindazole-1-carboxamide is O=C(Nc1ccccc1)n1ncc2ccccc21.
What is the InChIKey of N-phenylindazole-1-carboxamide?
The InChIKey is DWHCOXPLJJGAQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O/c18-14(16-12-7-2-1-3-8-12)17-13-9-5-4-6-11(13)10-15-17/h1-10H,(H,16,18).
What are the key properties of N-phenylindazole-1-carboxamide?
N-phenylindazole-1-carboxamide has a molecular weight of 237.26 g/mol, XLogP of 3.12, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenylindazole-1-carboxamide is sourced from PubChem (CID 53006427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).