N-[(4-bromophenyl)methyl]-5-(furan-2-yl)-N-methyl-1H-pyrazole-3-carboxamide

C16H14BrN3O2 — CID 35685972

IUPACN-[(4-bromophenyl)methyl]-5-(furan-2-yl)-N-methyl-1H-pyrazole-3-carboxamide
SMILESCN(Cc1ccc(Br)cc1)C(=O)c1cc(-c2ccco2)[nH]n1
InChIInChI=1S/C16H14BrN3O2/c1-20(10-11-4-6-12(17)7-5-11)16(21)14-9-13(18-19-14)15-3-2-8-22-15/h2-9H,10H2,1H3,(H,18,19)
InChIKeyNSNOOMVIHFDZKL-UHFFFAOYSA-N
MW360.21 g/mol
LogP3.70
Rot. Bonds4

About N-[(4-bromophenyl)methyl]-5-(furan-2-yl)-N-methyl-1H-pyrazole-3-carboxamide

N-[(4-bromophenyl)methyl]-5-(furan-2-yl)-N-methyl-1H-pyrazole-3-carboxamide (PubChem CID 35685972) has the molecular formula C16H14BrN3O2 and a molecular weight of 360.21 g/mol. Its IUPAC name is N-[(4-bromophenyl)methyl]-5-(furan-2-yl)-N-methyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(4-bromophenyl)methyl]-5-(furan-2-yl)-N-methyl-1H-pyrazole-3-carboxamide
PubChem CID35685972
Molecular FormulaC16H14BrN3O2
Molecular Weight360.21 g/mol
Exact Mass359.03
IUPAC NameN-[(4-bromophenyl)methyl]-5-(furan-2-yl)-N-methyl-1H-pyrazole-3-carboxamide
SMILESCN(Cc1ccc(Br)cc1)C(=O)c1cc(-c2ccco2)[nH]n1
InChIInChI=1S/C16H14BrN3O2/c1-20(10-11-4-6-12(17)7-5-11)16(21)14-9-13(18-19-14)15-3-2-8-22-15/h2-9H,10H2,1H3,(H,18,19)
InChIKeyNSNOOMVIHFDZKL-UHFFFAOYSA-N
XLogP3.70
TPSA62.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.21
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4-bromophenyl)methyl]-5-(furan-2-yl)-N-methyl-1H-pyrazole-3-carboxamide?
The IUPAC name of N-[(4-bromophenyl)methyl]-5-(furan-2-yl)-N-methyl-1H-pyrazole-3-carboxamide (CID 35685972) is N-[(4-bromophenyl)methyl]-5-(furan-2-yl)-N-methyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-[(4-bromophenyl)methyl]-5-(furan-2-yl)-N-methyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-[(4-bromophenyl)methyl]-5-(furan-2-yl)-N-methyl-1H-pyrazole-3-carboxamide is CN(Cc1ccc(Br)cc1)C(=O)c1cc(-c2ccco2)[nH]n1.
What is the InChIKey of N-[(4-bromophenyl)methyl]-5-(furan-2-yl)-N-methyl-1H-pyrazole-3-carboxamide?
The InChIKey is NSNOOMVIHFDZKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrN3O2/c1-20(10-11-4-6-12(17)7-5-11)16(21)14-9-13(18-19-14)15-3-2-8-22-15/h2-9H,10H2,1H3,(H,18,19).
What are the key properties of N-[(4-bromophenyl)methyl]-5-(furan-2-yl)-N-methyl-1H-pyrazole-3-carboxamide?
N-[(4-bromophenyl)methyl]-5-(furan-2-yl)-N-methyl-1H-pyrazole-3-carboxamide has a molecular weight of 360.21 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromophenyl)methyl]-5-(furan-2-yl)-N-methyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 35685972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).