3-(4-bromophenyl)-N-(furan-2-ylmethyl)-N-methyl-1H-pyrazole-5-carboxamide

C16H14BrN3O2 — CID 36692826

IUPAC3-(4-bromophenyl)-N-(furan-2-ylmethyl)-N-methyl-1H-pyrazole-5-carboxamide
SMILESCN(Cc1ccco1)C(=O)c1cc(-c2ccc(Br)cc2)n[nH]1
InChIInChI=1S/C16H14BrN3O2/c1-20(10-13-3-2-8-22-13)16(21)15-9-14(18-19-15)11-4-6-12(17)7-5-11/h2-9H,10H2,1H3,(H,18,19)
InChIKeyBYZCLSRWMYSSMG-UHFFFAOYSA-N
MW360.21 g/mol
LogP3.70
Rot. Bonds4

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

3-(4-bromophenyl)-N-(furan-2-ylmethyl)-N-methyl-1H-pyrazole-5-carboxamide (PubChem CID 36692826) has the molecular formula C16H14BrN3O2 and a molecular weight of 360.21 g/mol. Its IUPAC name is 3-(4-bromophenyl)-N-(furan-2-ylmethyl)-N-methyl-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(4-bromophenyl)-N-(furan-2-ylmethyl)-N-methyl-1H-pyrazole-5-carboxamide
PubChem CID36692826
Molecular FormulaC16H14BrN3O2
Molecular Weight360.21 g/mol
Exact Mass359.03
IUPAC Name3-(4-bromophenyl)-N-(furan-2-ylmethyl)-N-methyl-1H-pyrazole-5-carboxamide
SMILESCN(Cc1ccco1)C(=O)c1cc(-c2ccc(Br)cc2)n[nH]1
InChIInChI=1S/C16H14BrN3O2/c1-20(10-13-3-2-8-22-13)16(21)15-9-14(18-19-15)11-4-6-12(17)7-5-11/h2-9H,10H2,1H3,(H,18,19)
InChIKeyBYZCLSRWMYSSMG-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

Analyze 3-(4-bromophenyl)-N-(furan-2-ylmethyl)-N-methyl-1H-pyrazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-N-(furan-2-ylmethyl)-N-methyl-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-(4-bromophenyl)-N-(furan-2-ylmethyl)-N-methyl-1H-pyrazole-5-carboxamide (CID 36692826) is 3-(4-bromophenyl)-N-(furan-2-ylmethyl)-N-methyl-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-(4-bromophenyl)-N-(furan-2-ylmethyl)-N-methyl-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-(4-bromophenyl)-N-(furan-2-ylmethyl)-N-methyl-1H-pyrazole-5-carboxamide is CN(Cc1ccco1)C(=O)c1cc(-c2ccc(Br)cc2)n[nH]1.
What is the InChIKey of 3-(4-bromophenyl)-N-(furan-2-ylmethyl)-N-methyl-1H-pyrazole-5-carboxamide?
The InChIKey is BYZCLSRWMYSSMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrN3O2/c1-20(10-13-3-2-8-22-13)16(21)15-9-14(18-19-15)11-4-6-12(17)7-5-11/h2-9H,10H2,1H3,(H,18,19).
What are the key properties of 3-(4-bromophenyl)-N-(furan-2-ylmethyl)-N-methyl-1H-pyrazole-5-carboxamide?
3-(4-bromophenyl)-N-(furan-2-ylmethyl)-N-methyl-1H-pyrazole-5-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 3-(4-bromophenyl)-N-(furan-2-ylmethyl)-N-methyl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 36692826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).