N-[(5-bromofuran-2-yl)methyl]-N,1,5-trimethylpyrazole-3-carboxamide

C12H14BrN3O2 — CID 91938717

IUPACN-[(5-bromofuran-2-yl)methyl]-N,1,5-trimethylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)N(C)Cc2ccc(Br)o2)nn1C
InChIInChI=1S/C12H14BrN3O2/c1-8-6-10(14-16(8)3)12(17)15(2)7-9-4-5-11(13)18-9/h4-6H,7H2,1-3H3
InChIKeyPGRRFNQOOUOWFY-UHFFFAOYSA-N
MW312.17 g/mol
LogP2.36
Rot. Bonds3

About N-[(5-bromofuran-2-yl)methyl]-N,1,5-trimethylpyrazole-3-carboxamide

N-[(5-bromofuran-2-yl)methyl]-N,1,5-trimethylpyrazole-3-carboxamide (PubChem CID 91938717) has the molecular formula C12H14BrN3O2 and a molecular weight of 312.17 g/mol. Its IUPAC name is N-[(5-bromofuran-2-yl)methyl]-N,1,5-trimethylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(5-bromofuran-2-yl)methyl]-N,1,5-trimethylpyrazole-3-carboxamide
PubChem CID91938717
Molecular FormulaC12H14BrN3O2
Molecular Weight312.17 g/mol
Exact Mass311.03
IUPAC NameN-[(5-bromofuran-2-yl)methyl]-N,1,5-trimethylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)N(C)Cc2ccc(Br)o2)nn1C
InChIInChI=1S/C12H14BrN3O2/c1-8-6-10(14-16(8)3)12(17)15(2)7-9-4-5-11(13)18-9/h4-6H,7H2,1-3H3
InChIKeyPGRRFNQOOUOWFY-UHFFFAOYSA-N
XLogP2.36
TPSA51.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.17
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[(5-bromofuran-2-yl)methyl]-N,1,5-trimethylpyrazole-3-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-[(5-bromofuran-2-yl)methyl]-N,5-dimethylthiophene-2-carboxamide
CID 71690397
3,5-dibromo-N-[(5-bromofuran-2-yl)methyl]-N-methylbenzamide
CID 107980321
1-[(5-bromofuran-2-yl)methyl]-3-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-methylurea
CID 86999467
5-amino-N-[(5-bromofuran-2-yl)methyl]-N-methylpyridine-2-carboxamide
CID 81316878
3-amino-N-[(5-bromofuran-2-yl)methyl]-N,2-dimethylbenzamide
CID 61108067
1-[(5-bromofuran-2-yl)methyl]-1-methylurea
CID 131134231
N-[(5-bromofuran-2-yl)methyl]-N,3-dimethylthiophene-2-carboxamide
CID 71690396
4-amino-N-[(5-bromofuran-2-yl)methyl]-N-methyl-1H-pyrrole-2-carboxamide
CID 61109003
4-amino-N-[(5-bromofuran-2-yl)methyl]-3,5-dichloro-N-methylbenzamide
CID 82794027
N-[(5-bromofuran-2-yl)methyl]-N-methyl-4-methylsulfanylbenzamide
CID 78868085
3-[(5-bromofuran-2-yl)methyl-methylamino]-3-oxopropanoic acid
CID 62232100
4-bromo-N-[(5-bromofuran-2-yl)methyl]-1-cyclopropyl-N-methylpyrrole-2-carboxamide
CID 60954974

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromofuran-2-yl)methyl]-N,1,5-trimethylpyrazole-3-carboxamide?
The IUPAC name of N-[(5-bromofuran-2-yl)methyl]-N,1,5-trimethylpyrazole-3-carboxamide (CID 91938717) is N-[(5-bromofuran-2-yl)methyl]-N,1,5-trimethylpyrazole-3-carboxamide.
What is the SMILES notation for N-[(5-bromofuran-2-yl)methyl]-N,1,5-trimethylpyrazole-3-carboxamide?
The canonical SMILES for N-[(5-bromofuran-2-yl)methyl]-N,1,5-trimethylpyrazole-3-carboxamide is Cc1cc(C(=O)N(C)Cc2ccc(Br)o2)nn1C.
What is the InChIKey of N-[(5-bromofuran-2-yl)methyl]-N,1,5-trimethylpyrazole-3-carboxamide?
The InChIKey is PGRRFNQOOUOWFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN3O2/c1-8-6-10(14-16(8)3)12(17)15(2)7-9-4-5-11(13)18-9/h4-6H,7H2,1-3H3.
What are the key properties of N-[(5-bromofuran-2-yl)methyl]-N,1,5-trimethylpyrazole-3-carboxamide?
N-[(5-bromofuran-2-yl)methyl]-N,1,5-trimethylpyrazole-3-carboxamide has a molecular weight of 312.17 g/mol, XLogP of 2.36, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromofuran-2-yl)methyl]-N,1,5-trimethylpyrazole-3-carboxamide is sourced from PubChem (CID 91938717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).