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

C15H12BrN3O2 — CID 18102424

IUPACN-[2-[(2-bromophenyl)methyl]pyrazol-3-yl]furan-2-carboxamide
SMILESO=C(Nc1ccnn1Cc1ccccc1Br)c1ccco1
InChIInChI=1S/C15H12BrN3O2/c16-12-5-2-1-4-11(12)10-19-14(7-8-17-19)18-15(20)13-6-3-9-21-13/h1-9H,10H2,(H,18,20)
InChIKeyRHKFDOKMUAJWNJ-UHFFFAOYSA-N
MW346.18 g/mol
LogP3.54
Rot. Bonds4

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

N-[2-[(2-bromophenyl)methyl]pyrazol-3-yl]furan-2-carboxamide (PubChem CID 18102424) has the molecular formula C15H12BrN3O2 and a molecular weight of 346.18 g/mol. Its IUPAC name is N-[2-[(2-bromophenyl)methyl]pyrazol-3-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-[(2-bromophenyl)methyl]pyrazol-3-yl]furan-2-carboxamide
PubChem CID18102424
Molecular FormulaC15H12BrN3O2
Molecular Weight346.18 g/mol
Exact Mass345.01
IUPAC NameN-[2-[(2-bromophenyl)methyl]pyrazol-3-yl]furan-2-carboxamide
SMILESO=C(Nc1ccnn1Cc1ccccc1Br)c1ccco1
InChIInChI=1S/C15H12BrN3O2/c16-12-5-2-1-4-11(12)10-19-14(7-8-17-19)18-15(20)13-6-3-9-21-13/h1-9H,10H2,(H,18,20)
InChIKeyRHKFDOKMUAJWNJ-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

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

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

Launch Full Analysis

Related Compounds

N-[2-[(2-bromophenyl)methyl]pyrazol-3-yl]-4-chlorobenzamide
CID 55452348
N-[2-[(2-bromophenyl)methyl]pyrazol-3-yl]-3,5-dichlorobenzamide
CID 18206219
N-[2-[(2-bromophenyl)methyl]pyrazol-3-yl]-4-methyl-3-nitrobenzamide
CID 18102449
N-[2-[(2-bromophenyl)methyl]pyrazol-3-yl]-2-(4-fluorophenoxy)propanamide
CID 18102461
2-(2-bromophenoxy)-N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]acetamide
CID 52542142
N-[4-[2-[[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 55435270
N-(2-benzylpyrazol-3-yl)-2-bromo-5-methoxybenzamide
CID 9116244
N-(2-benzylpyrazol-3-yl)-4-iodobenzamide
CID 55359598
N-(2-benzylpyrazol-3-yl)-3,4-dichlorobenzamide
CID 7589760
N-(2-benzylpyrazol-3-yl)-2-iodobenzamide
CID 55359617
N-[2-[(2-bromophenyl)methyl]pyrazol-3-yl]-3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 55452219
N-(2-ethylphenyl)furan-2-carboxamide
CID 763274

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-bromophenyl)methyl]pyrazol-3-yl]furan-2-carboxamide?
The IUPAC name of N-[2-[(2-bromophenyl)methyl]pyrazol-3-yl]furan-2-carboxamide (CID 18102424) is N-[2-[(2-bromophenyl)methyl]pyrazol-3-yl]furan-2-carboxamide.
What is the SMILES notation for N-[2-[(2-bromophenyl)methyl]pyrazol-3-yl]furan-2-carboxamide?
The canonical SMILES for N-[2-[(2-bromophenyl)methyl]pyrazol-3-yl]furan-2-carboxamide is O=C(Nc1ccnn1Cc1ccccc1Br)c1ccco1.
What is the InChIKey of N-[2-[(2-bromophenyl)methyl]pyrazol-3-yl]furan-2-carboxamide?
The InChIKey is RHKFDOKMUAJWNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrN3O2/c16-12-5-2-1-4-11(12)10-19-14(7-8-17-19)18-15(20)13-6-3-9-21-13/h1-9H,10H2,(H,18,20).
What are the key properties of N-[2-[(2-bromophenyl)methyl]pyrazol-3-yl]furan-2-carboxamide?
N-[2-[(2-bromophenyl)methyl]pyrazol-3-yl]furan-2-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-[(2-bromophenyl)methyl]pyrazol-3-yl]furan-2-carboxamide is sourced from PubChem (CID 18102424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).