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

C16H14BrN3O2 — CID 47047247

IUPACN-[2-[(3-bromophenyl)methyl]pyrazol-3-yl]-3-methylfuran-2-carboxamide
SMILESCc1ccoc1C(=O)Nc1ccnn1Cc1cccc(Br)c1
InChIInChI=1S/C16H14BrN3O2/c1-11-6-8-22-15(11)16(21)19-14-5-7-18-20(14)10-12-3-2-4-13(17)9-12/h2-9H,10H2,1H3,(H,19,21)
InChIKeyKPLCRGUNMBXKEX-UHFFFAOYSA-N
MW360.21 g/mol
LogP3.85
Rot. Bonds4

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

N-[2-[(3-bromophenyl)methyl]pyrazol-3-yl]-3-methylfuran-2-carboxamide (PubChem CID 47047247) has the molecular formula C16H14BrN3O2 and a molecular weight of 360.21 g/mol. Its IUPAC name is N-[2-[(3-bromophenyl)methyl]pyrazol-3-yl]-3-methylfuran-2-carboxamide.

Molecular Properties

Compound NameN-[2-[(3-bromophenyl)methyl]pyrazol-3-yl]-3-methylfuran-2-carboxamide
PubChem CID47047247
Molecular FormulaC16H14BrN3O2
Molecular Weight360.21 g/mol
Exact Mass359.03
IUPAC NameN-[2-[(3-bromophenyl)methyl]pyrazol-3-yl]-3-methylfuran-2-carboxamide
SMILESCc1ccoc1C(=O)Nc1ccnn1Cc1cccc(Br)c1
InChIInChI=1S/C16H14BrN3O2/c1-11-6-8-22-15(11)16(21)19-14-5-7-18-20(14)10-12-3-2-4-13(17)9-12/h2-9H,10H2,1H3,(H,19,21)
InChIKeyKPLCRGUNMBXKEX-UHFFFAOYSA-N
XLogP3.85
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.21
LogP ≤ 53.85
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]-3-methylfuran-2-carboxamide?
The IUPAC name of N-[2-[(3-bromophenyl)methyl]pyrazol-3-yl]-3-methylfuran-2-carboxamide (CID 47047247) is N-[2-[(3-bromophenyl)methyl]pyrazol-3-yl]-3-methylfuran-2-carboxamide.
What is the SMILES notation for N-[2-[(3-bromophenyl)methyl]pyrazol-3-yl]-3-methylfuran-2-carboxamide?
The canonical SMILES for N-[2-[(3-bromophenyl)methyl]pyrazol-3-yl]-3-methylfuran-2-carboxamide is Cc1ccoc1C(=O)Nc1ccnn1Cc1cccc(Br)c1.
What is the InChIKey of N-[2-[(3-bromophenyl)methyl]pyrazol-3-yl]-3-methylfuran-2-carboxamide?
The InChIKey is KPLCRGUNMBXKEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrN3O2/c1-11-6-8-22-15(11)16(21)19-14-5-7-18-20(14)10-12-3-2-4-13(17)9-12/h2-9H,10H2,1H3,(H,19,21).
What are the key properties of N-[2-[(3-bromophenyl)methyl]pyrazol-3-yl]-3-methylfuran-2-carboxamide?
N-[2-[(3-bromophenyl)methyl]pyrazol-3-yl]-3-methylfuran-2-carboxamide has a molecular weight of 360.21 g/mol, XLogP of 3.85, 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]-3-methylfuran-2-carboxamide is sourced from PubChem (CID 47047247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).