N-[2-[(3-bromophenyl)methyl]pyrazol-3-yl]furan-3-carboxamide

C15H12BrN3O2 — CID 47047261

IUPACN-[2-[(3-bromophenyl)methyl]pyrazol-3-yl]furan-3-carboxamide
SMILESO=C(Nc1ccnn1Cc1cccc(Br)c1)c1ccoc1
InChIInChI=1S/C15H12BrN3O2/c16-13-3-1-2-11(8-13)9-19-14(4-6-17-19)18-15(20)12-5-7-21-10-12/h1-8,10H,9H2,(H,18,20)
InChIKeyWMZSLPYBHHDDFB-UHFFFAOYSA-N
MW346.18 g/mol
LogP3.54
Rot. Bonds4

About N-[2-[(3-bromophenyl)methyl]pyrazol-3-yl]furan-3-carboxamide

N-[2-[(3-bromophenyl)methyl]pyrazol-3-yl]furan-3-carboxamide (PubChem CID 47047261) has the molecular formula C15H12BrN3O2 and a molecular weight of 346.18 g/mol. Its IUPAC name is N-[2-[(3-bromophenyl)methyl]pyrazol-3-yl]furan-3-carboxamide.

Molecular Properties

Compound NameN-[2-[(3-bromophenyl)methyl]pyrazol-3-yl]furan-3-carboxamide
PubChem CID47047261
Molecular FormulaC15H12BrN3O2
Molecular Weight346.18 g/mol
Exact Mass345.01
IUPAC NameN-[2-[(3-bromophenyl)methyl]pyrazol-3-yl]furan-3-carboxamide
SMILESO=C(Nc1ccnn1Cc1cccc(Br)c1)c1ccoc1
InChIInChI=1S/C15H12BrN3O2/c16-13-3-1-2-11(8-13)9-19-14(4-6-17-19)18-15(20)12-5-7-21-10-12/h1-8,10H,9H2,(H,18,20)
InChIKeyWMZSLPYBHHDDFB-UHFFFAOYSA-N
XLogP3.54
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.18
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-bromophenyl)methyl]pyrazol-3-yl]furan-3-carboxamide?
The IUPAC name of N-[2-[(3-bromophenyl)methyl]pyrazol-3-yl]furan-3-carboxamide (CID 47047261) is N-[2-[(3-bromophenyl)methyl]pyrazol-3-yl]furan-3-carboxamide.
What is the SMILES notation for N-[2-[(3-bromophenyl)methyl]pyrazol-3-yl]furan-3-carboxamide?
The canonical SMILES for N-[2-[(3-bromophenyl)methyl]pyrazol-3-yl]furan-3-carboxamide is O=C(Nc1ccnn1Cc1cccc(Br)c1)c1ccoc1.
What is the InChIKey of N-[2-[(3-bromophenyl)methyl]pyrazol-3-yl]furan-3-carboxamide?
The InChIKey is WMZSLPYBHHDDFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrN3O2/c16-13-3-1-2-11(8-13)9-19-14(4-6-17-19)18-15(20)12-5-7-21-10-12/h1-8,10H,9H2,(H,18,20).
What are the key properties of N-[2-[(3-bromophenyl)methyl]pyrazol-3-yl]furan-3-carboxamide?
N-[2-[(3-bromophenyl)methyl]pyrazol-3-yl]furan-3-carboxamide has a molecular weight of 346.18 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-bromophenyl)methyl]pyrazol-3-yl]furan-3-carboxamide is sourced from PubChem (CID 47047261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).