N-[4-(4-bromopyrazol-1-yl)phenyl]furan-2-carboxamide

C14H10BrN3O2 — CID 5306879

IUPACN-[4-(4-bromopyrazol-1-yl)phenyl]furan-2-carboxamide
SMILESO=C(Nc1ccc(-n2cc(Br)cn2)cc1)c1ccco1
InChIInChI=1S/C14H10BrN3O2/c15-10-8-16-18(9-10)12-5-3-11(4-6-12)17-14(19)13-2-1-7-20-13/h1-9H,(H,17,19)
InChIKeyIZRCCEPQMISYGG-UHFFFAOYSA-N
MW332.16 g/mol
LogP3.48
Rot. Bonds3

About N-[4-(4-bromopyrazol-1-yl)phenyl]furan-2-carboxamide

N-[4-(4-bromopyrazol-1-yl)phenyl]furan-2-carboxamide (PubChem CID 5306879) has the molecular formula C14H10BrN3O2 and a molecular weight of 332.16 g/mol. Its IUPAC name is N-[4-(4-bromopyrazol-1-yl)phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-(4-bromopyrazol-1-yl)phenyl]furan-2-carboxamide
PubChem CID5306879
Molecular FormulaC14H10BrN3O2
Molecular Weight332.16 g/mol
Exact Mass331.00
IUPAC NameN-[4-(4-bromopyrazol-1-yl)phenyl]furan-2-carboxamide
SMILESO=C(Nc1ccc(-n2cc(Br)cn2)cc1)c1ccco1
InChIInChI=1S/C14H10BrN3O2/c15-10-8-16-18(9-10)12-5-3-11(4-6-12)17-14(19)13-2-1-7-20-13/h1-9H,(H,17,19)
InChIKeyIZRCCEPQMISYGG-UHFFFAOYSA-N
XLogP3.48
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.16
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[[[4-(4-bromopyrazol-1-yl)benzoyl]amino]methyl]phenyl]furan-2-carboxamide
CID 55602278
5-bromo-N-[4-(4-bromopyrazol-1-yl)phenyl]furan-2-carboxamide
CID 35537874
N-[4-(furan-2-carbonylamino)phenyl]furan-2-carboxamide
CID 565232
N-[[4-(furan-2-carbonylamino)phenyl]methyl]-1-(4-nitrophenyl)pyrazole-4-carboxamide
CID 55758919
4-(4-bromopyrazol-1-yl)-N-(4-methoxyphenyl)benzamide
CID 38761721
[4-(furan-2-carbonylamino)phenyl]carbamic acid
CID 18543126
N-[4-(methylamino)phenyl]furan-2-carboxamide
CID 63091259
1-(3-chlorophenyl)-N-[[4-(furan-2-carbonylamino)phenyl]methyl]pyrazole-4-carboxamide
CID 55871353
1-(4-bromophenyl)-N-[[4-(furan-2-carbonylamino)phenyl]methyl]-5-methylpyrazole-4-carboxamide
CID 55544244
N-[4-(bromomethyl)phenyl]furan-2-carboxamide
CID 114310940
N-(4-fluorophenyl)furan-2-carboxamide
CID 531893
N-[4-(1,3-dioxoisoindol-2-yl)phenyl]furan-2-carboxamide
CID 923784

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-bromopyrazol-1-yl)phenyl]furan-2-carboxamide?
The IUPAC name of N-[4-(4-bromopyrazol-1-yl)phenyl]furan-2-carboxamide (CID 5306879) is N-[4-(4-bromopyrazol-1-yl)phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-(4-bromopyrazol-1-yl)phenyl]furan-2-carboxamide?
The canonical SMILES for N-[4-(4-bromopyrazol-1-yl)phenyl]furan-2-carboxamide is O=C(Nc1ccc(-n2cc(Br)cn2)cc1)c1ccco1.
What is the InChIKey of N-[4-(4-bromopyrazol-1-yl)phenyl]furan-2-carboxamide?
The InChIKey is IZRCCEPQMISYGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrN3O2/c15-10-8-16-18(9-10)12-5-3-11(4-6-12)17-14(19)13-2-1-7-20-13/h1-9H,(H,17,19).
What are the key properties of N-[4-(4-bromopyrazol-1-yl)phenyl]furan-2-carboxamide?
N-[4-(4-bromopyrazol-1-yl)phenyl]furan-2-carboxamide has a molecular weight of 332.16 g/mol, XLogP of 3.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-bromopyrazol-1-yl)phenyl]furan-2-carboxamide is sourced from PubChem (CID 5306879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).