N-(3-bromophenyl)-5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-carboxamide

C17H16BrN3O2 — CID 5063817

IUPACN-(3-bromophenyl)-5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-carboxamide
SMILESCc1cc(C)n(Cc2ccc(C(=O)Nc3cccc(Br)c3)o2)n1
InChIInChI=1S/C17H16BrN3O2/c1-11-8-12(2)21(20-11)10-15-6-7-16(23-15)17(22)19-14-5-3-4-13(18)9-14/h3-9H,10H2,1-2H3,(H,19,22)
InChIKeyHJESFMONCIKKSO-UHFFFAOYSA-N
MW374.24 g/mol
LogP4.16
Rot. Bonds4

About N-(3-bromophenyl)-5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-carboxamide

N-(3-bromophenyl)-5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-carboxamide (PubChem CID 5063817) has the molecular formula C17H16BrN3O2 and a molecular weight of 374.24 g/mol. Its IUPAC name is N-(3-bromophenyl)-5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-carboxamide
PubChem CID5063817
Molecular FormulaC17H16BrN3O2
Molecular Weight374.24 g/mol
Exact Mass373.04
IUPAC NameN-(3-bromophenyl)-5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-carboxamide
SMILESCc1cc(C)n(Cc2ccc(C(=O)Nc3cccc(Br)c3)o2)n1
InChIInChI=1S/C17H16BrN3O2/c1-11-8-12(2)21(20-11)10-15-6-7-16(23-15)17(22)19-14-5-3-4-13(18)9-14/h3-9H,10H2,1-2H3,(H,19,22)
InChIKeyHJESFMONCIKKSO-UHFFFAOYSA-N
XLogP4.16
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.24
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-carboxamide?
The IUPAC name of N-(3-bromophenyl)-5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-carboxamide (CID 5063817) is N-(3-bromophenyl)-5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-carboxamide.
What is the SMILES notation for N-(3-bromophenyl)-5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-carboxamide?
The canonical SMILES for N-(3-bromophenyl)-5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-carboxamide is Cc1cc(C)n(Cc2ccc(C(=O)Nc3cccc(Br)c3)o2)n1.
What is the InChIKey of N-(3-bromophenyl)-5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-carboxamide?
The InChIKey is HJESFMONCIKKSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrN3O2/c1-11-8-12(2)21(20-11)10-15-6-7-16(23-15)17(22)19-14-5-3-4-13(18)9-14/h3-9H,10H2,1-2H3,(H,19,22).
What are the key properties of N-(3-bromophenyl)-5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-carboxamide?
N-(3-bromophenyl)-5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-carboxamide has a molecular weight of 374.24 g/mol, XLogP of 4.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-carboxamide is sourced from PubChem (CID 5063817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).