4-bromo-N-phenylpyrazole-1-carboxamide

C10H8BrN3O — CID 804760

IUPAC4-bromo-N-phenylpyrazole-1-carboxamide
SMILESO=C(Nc1ccccc1)n1cc(Br)cn1
InChIInChI=1S/C10H8BrN3O/c11-8-6-12-14(7-8)10(15)13-9-4-2-1-3-5-9/h1-7H,(H,13,15)
InChIKeyREBIYTCRTIUBSI-UHFFFAOYSA-N
MW266.10 g/mol
LogP2.73
Rot. Bonds1

About 4-bromo-N-phenylpyrazole-1-carboxamide

4-bromo-N-phenylpyrazole-1-carboxamide (PubChem CID 804760) has the molecular formula C10H8BrN3O and a molecular weight of 266.10 g/mol. Its IUPAC name is 4-bromo-N-phenylpyrazole-1-carboxamide.

Molecular Properties

Compound Name4-bromo-N-phenylpyrazole-1-carboxamide
PubChem CID804760
Molecular FormulaC10H8BrN3O
Molecular Weight266.10 g/mol
Exact Mass264.99
IUPAC Name4-bromo-N-phenylpyrazole-1-carboxamide
SMILESO=C(Nc1ccccc1)n1cc(Br)cn1
InChIInChI=1S/C10H8BrN3O/c11-8-6-12-14(7-8)10(15)13-9-4-2-1-3-5-9/h1-7H,(H,13,15)
InChIKeyREBIYTCRTIUBSI-UHFFFAOYSA-N
XLogP2.73
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.10
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-Methylpyrazol-3-yl)-3-phenylurea
CID 2808767
1-(3-Bromophenyl)-3-(2-methylpyrazol-3-yl)urea
CID 2808860
1-(4-Bromo-1-methylpyrazol-5-yl)-3-phenylurea
CID 2808836
1-(1-Methylpyrazol-3-yl)-3-phenylurea
CID 2807714
4-(4-bromo-1H-pyrazol-1-yl)aniline
CID 19576898
1-(4-Bromo-1-methylpyrazol-5-yl)-3-(4-fluorophenyl)urea
CID 2808953
1-(4-Fluorophenyl)-3-(1-pyrazol-1-ylpropan-2-yl)urea
CID 45814217
1-(2-Bromo-4-fluorophenyl)-3-(3-pyrazol-1-ylpropyl)urea
CID 47223200
1,1-Diethyl-3-[2-(1-phenylpyrazol-3-yl)ethyl]urea
CID 53558975
N-[(1-Methyl-1H-pyrazol-4-YL)methyl]-N'-phenylurea
CID 2933645
Azoluron
CID 13370097
N-(4-aminophenyl)-N-(trifluoromethyl)-1h-pyrazole-1-carboxamide
CID 129887122

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-phenylpyrazole-1-carboxamide?
The IUPAC name of 4-bromo-N-phenylpyrazole-1-carboxamide (CID 804760) is 4-bromo-N-phenylpyrazole-1-carboxamide.
What is the SMILES notation for 4-bromo-N-phenylpyrazole-1-carboxamide?
The canonical SMILES for 4-bromo-N-phenylpyrazole-1-carboxamide is O=C(Nc1ccccc1)n1cc(Br)cn1.
What is the InChIKey of 4-bromo-N-phenylpyrazole-1-carboxamide?
The InChIKey is REBIYTCRTIUBSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrN3O/c11-8-6-12-14(7-8)10(15)13-9-4-2-1-3-5-9/h1-7H,(H,13,15).
What are the key properties of 4-bromo-N-phenylpyrazole-1-carboxamide?
4-bromo-N-phenylpyrazole-1-carboxamide has a molecular weight of 266.10 g/mol, XLogP of 2.73, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-phenylpyrazole-1-carboxamide is sourced from PubChem (CID 804760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).