N-[4-(4-bromopyrazol-1-yl)phenyl]formamide

C10H8BrN3O — CID 168652639

IUPACN-[4-(4-bromopyrazol-1-yl)phenyl]formamide
SMILESO=CNc1ccc(-n2cc(Br)cn2)cc1
InChIInChI=1S/C10H8BrN3O/c11-8-5-13-14(6-8)10-3-1-9(2-4-10)12-7-15/h1-7H,(H,12,15)
InChIKeyWDECLSQAVUIJSC-UHFFFAOYSA-N
MW266.10 g/mol
LogP2.20
Rot. Bonds3

About N-[4-(4-bromopyrazol-1-yl)phenyl]formamide

N-[4-(4-bromopyrazol-1-yl)phenyl]formamide (PubChem CID 168652639) has the molecular formula C10H8BrN3O and a molecular weight of 266.10 g/mol. Its IUPAC name is N-[4-(4-bromopyrazol-1-yl)phenyl]formamide.

Molecular Properties

Compound NameN-[4-(4-bromopyrazol-1-yl)phenyl]formamide
PubChem CID168652639
Molecular FormulaC10H8BrN3O
Molecular Weight266.10 g/mol
Exact Mass264.99
IUPAC NameN-[4-(4-bromopyrazol-1-yl)phenyl]formamide
SMILESO=CNc1ccc(-n2cc(Br)cn2)cc1
InChIInChI=1S/C10H8BrN3O/c11-8-5-13-14(6-8)10-3-1-9(2-4-10)12-7-15/h1-7H,(H,12,15)
InChIKeyWDECLSQAVUIJSC-UHFFFAOYSA-N
XLogP2.20
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.10
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(4-chloropyrazol-1-yl)phenyl]formamide
CID 168653170
4-bromo-1-(4-bromophenyl)pyrazole
CID 15940041
4-(4-bromopyrazol-1-yl)-N-methylbenzamide
CID 47027650
N-[[4-(4-bromopyrazol-1-yl)phenyl]methyl]ethanamine
CID 61036315
N-(4-bromophenyl)formamide;methane
CID 163289567
5-bromo-N-[4-(4-bromopyrazol-1-yl)phenyl]furan-2-carboxamide
CID 35537874
N-[4-(4-bromopyrazol-1-yl)phenyl]furan-2-carboxamide
CID 5306879
N-[4-(tetrazol-1-yl)phenyl]formamide
CID 64992133
(E)-3-[4-(4-bromopyrazol-1-yl)phenyl]prop-2-en-1-amine
CID 117445633
4-(4-bromopyrazol-1-yl)-N-(4-methoxyphenyl)benzamide
CID 38761721
2-amino-2-[4-(4-bromopyrazol-1-yl)phenyl]acetic acid
CID 117476951
2-[4-(4-bromopyrazol-1-yl)phenyl]ethanol
CID 117420978

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-bromopyrazol-1-yl)phenyl]formamide?
The IUPAC name of N-[4-(4-bromopyrazol-1-yl)phenyl]formamide (CID 168652639) is N-[4-(4-bromopyrazol-1-yl)phenyl]formamide.
What is the SMILES notation for N-[4-(4-bromopyrazol-1-yl)phenyl]formamide?
The canonical SMILES for N-[4-(4-bromopyrazol-1-yl)phenyl]formamide is O=CNc1ccc(-n2cc(Br)cn2)cc1.
What is the InChIKey of N-[4-(4-bromopyrazol-1-yl)phenyl]formamide?
The InChIKey is WDECLSQAVUIJSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrN3O/c11-8-5-13-14(6-8)10-3-1-9(2-4-10)12-7-15/h1-7H,(H,12,15).
What are the key properties of N-[4-(4-bromopyrazol-1-yl)phenyl]formamide?
N-[4-(4-bromopyrazol-1-yl)phenyl]formamide has a molecular weight of 266.10 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-bromopyrazol-1-yl)phenyl]formamide is sourced from PubChem (CID 168652639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).