1-N-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]-2-N,2-N-dimethylbenzene-1,2-diamine

C15H21BrN4 — CID 106759550

IUPAC1-N-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]-2-N,2-N-dimethylbenzene-1,2-diamine
SMILESCCn1nc(C)c(Br)c1CNc1ccccc1N(C)C
InChIInChI=1S/C15H21BrN4/c1-5-20-14(15(16)11(2)18-20)10-17-12-8-6-7-9-13(12)19(3)4/h6-9,17H,5,10H2,1-4H3
InChIKeyHWGXAIGKIHFLLE-UHFFFAOYSA-N
MW337.27 g/mol
LogP3.65
Rot. Bonds5

About 1-N-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]-2-N,2-N-dimethylbenzene-1,2-diamine

1-N-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]-2-N,2-N-dimethylbenzene-1,2-diamine (PubChem CID 106759550) has the molecular formula C15H21BrN4 and a molecular weight of 337.27 g/mol. Its IUPAC name is 1-N-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]-2-N,2-N-dimethylbenzene-1,2-diamine.

Molecular Properties

Compound Name1-N-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]-2-N,2-N-dimethylbenzene-1,2-diamine
PubChem CID106759550
Molecular FormulaC15H21BrN4
Molecular Weight337.27 g/mol
Exact Mass336.09
IUPAC Name1-N-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]-2-N,2-N-dimethylbenzene-1,2-diamine
SMILESCCn1nc(C)c(Br)c1CNc1ccccc1N(C)C
InChIInChI=1S/C15H21BrN4/c1-5-20-14(15(16)11(2)18-20)10-17-12-8-6-7-9-13(12)19(3)4/h6-9,17H,5,10H2,1-4H3
InChIKeyHWGXAIGKIHFLLE-UHFFFAOYSA-N
XLogP3.65
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.27
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-N-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]-2-N,2-N-dimethylbenzene-1,2-diamine 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

1-N-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]-2-N,2-N-dimethylbenzene-1,2-diamine
CID 106759618
2,6-dibromo-N-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]aniline
CID 107598752
1-N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-N,2-N-dimethylbenzene-1,2-diamine
CID 106759552
3-bromo-4-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methylamino]benzonitrile
CID 107789467
3-bromo-N-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]-2-methylaniline
CID 107329643
1-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-N-[(2-methylpropan-2-yl)oxy]methanamine
CID 82724430
N-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]-1-(4-ethylphenyl)methanamine
CID 106899626
2-[2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-hydrazinylethyl]aniline
CID 105223757
4-bromo-2,3-dichloro-N-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]aniline
CID 107789023
2-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methylamino]-3-methoxybenzonitrile
CID 107467689
N-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]-4-fluoro-3-methoxyaniline
CID 114839285
(1R)-N-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]-1-(4-bromophenyl)ethanamine
CID 81359395

Frequently Asked Questions

What is the IUPAC name of 1-N-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]-2-N,2-N-dimethylbenzene-1,2-diamine?
The IUPAC name of 1-N-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]-2-N,2-N-dimethylbenzene-1,2-diamine (CID 106759550) is 1-N-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]-2-N,2-N-dimethylbenzene-1,2-diamine.
What is the SMILES notation for 1-N-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]-2-N,2-N-dimethylbenzene-1,2-diamine?
The canonical SMILES for 1-N-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]-2-N,2-N-dimethylbenzene-1,2-diamine is CCn1nc(C)c(Br)c1CNc1ccccc1N(C)C.
What is the InChIKey of 1-N-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]-2-N,2-N-dimethylbenzene-1,2-diamine?
The InChIKey is HWGXAIGKIHFLLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN4/c1-5-20-14(15(16)11(2)18-20)10-17-12-8-6-7-9-13(12)19(3)4/h6-9,17H,5,10H2,1-4H3.
What are the key properties of 1-N-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]-2-N,2-N-dimethylbenzene-1,2-diamine?
1-N-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]-2-N,2-N-dimethylbenzene-1,2-diamine has a molecular weight of 337.27 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]-2-N,2-N-dimethylbenzene-1,2-diamine is sourced from PubChem (CID 106759550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).