N-(3-bromo-1-methylpyrazol-4-yl)-3-ethyl-N,1-dimethylpyrazol-5-amine

C11H16BrN5 — CID 178128914

IUPACN-(3-bromo-1-methylpyrazol-4-yl)-3-ethyl-N,1-dimethylpyrazol-5-amine
SMILESCCc1cc(N(C)c2cn(C)nc2Br)n(C)n1
InChIInChI=1S/C11H16BrN5/c1-5-8-6-10(17(4)13-8)16(3)9-7-15(2)14-11(9)12/h6-7H,5H2,1-4H3
InChIKeyINHHOLBDDPBBCH-UHFFFAOYSA-N
MW298.19 g/mol
LogP2.25
Rot. Bonds3

About N-(3-bromo-1-methylpyrazol-4-yl)-3-ethyl-N,1-dimethylpyrazol-5-amine

N-(3-bromo-1-methylpyrazol-4-yl)-3-ethyl-N,1-dimethylpyrazol-5-amine (PubChem CID 178128914) has the molecular formula C11H16BrN5 and a molecular weight of 298.19 g/mol. Its IUPAC name is N-(3-bromo-1-methylpyrazol-4-yl)-3-ethyl-N,1-dimethylpyrazol-5-amine.

Molecular Properties

Compound NameN-(3-bromo-1-methylpyrazol-4-yl)-3-ethyl-N,1-dimethylpyrazol-5-amine
PubChem CID178128914
Molecular FormulaC11H16BrN5
Molecular Weight298.19 g/mol
Exact Mass297.06
IUPAC NameN-(3-bromo-1-methylpyrazol-4-yl)-3-ethyl-N,1-dimethylpyrazol-5-amine
SMILESCCc1cc(N(C)c2cn(C)nc2Br)n(C)n1
InChIInChI=1S/C11H16BrN5/c1-5-8-6-10(17(4)13-8)16(3)9-7-15(2)14-11(9)12/h6-7H,5H2,1-4H3
InChIKeyINHHOLBDDPBBCH-UHFFFAOYSA-N
XLogP2.25
TPSA38.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.19
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-bromo-1-methylpyrazol-4-yl)-3-ethyl-1-methylpyrazol-5-amine
CID 178129063
3-ethyl-5-methoxy-1-methylpyrazole
CID 165138939
(3-bromo-1-methylpyrazol-4-yl)-(3-ethyl-1,2-oxazol-5-yl)methanol
CID 164719599
1-(3-ethyl-1-methylpyrazol-5-yl)propan-2-ylhydrazine
CID 105201388
1-(3-ethyl-1-methylpyrazol-5-yl)-2-methylpropan-1-ol
CID 105133596
3-[(3-bromo-1-methylpyrazol-4-yl)methyl]-5-ethyl-1,2-oxazole
CID 164719434
1-[1-amino-2-(3-ethyl-1-methylpyrazol-5-yl)ethyl]-N,N-dimethylcyclohexan-1-amine
CID 79065984
4-bromo-5-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-2-methyl-1,3-thiazole
CID 164719415
1-(3-tert-butyl-1-methylpyrazol-4-yl)-2-(3-ethyl-1-methylpyrazol-5-yl)ethanol
CID 83091915
3-ethyl-1-methylpyrazole-5-carboxylic acid
CID 820565
1-chloro-N-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-N-methylpropan-2-amine
CID 104555024
3-bromo-4-fluoro-1-methylpyrazole
CID 131506344

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-1-methylpyrazol-4-yl)-3-ethyl-N,1-dimethylpyrazol-5-amine?
The IUPAC name of N-(3-bromo-1-methylpyrazol-4-yl)-3-ethyl-N,1-dimethylpyrazol-5-amine (CID 178128914) is N-(3-bromo-1-methylpyrazol-4-yl)-3-ethyl-N,1-dimethylpyrazol-5-amine.
What is the SMILES notation for N-(3-bromo-1-methylpyrazol-4-yl)-3-ethyl-N,1-dimethylpyrazol-5-amine?
The canonical SMILES for N-(3-bromo-1-methylpyrazol-4-yl)-3-ethyl-N,1-dimethylpyrazol-5-amine is CCc1cc(N(C)c2cn(C)nc2Br)n(C)n1.
What is the InChIKey of N-(3-bromo-1-methylpyrazol-4-yl)-3-ethyl-N,1-dimethylpyrazol-5-amine?
The InChIKey is INHHOLBDDPBBCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrN5/c1-5-8-6-10(17(4)13-8)16(3)9-7-15(2)14-11(9)12/h6-7H,5H2,1-4H3.
What are the key properties of N-(3-bromo-1-methylpyrazol-4-yl)-3-ethyl-N,1-dimethylpyrazol-5-amine?
N-(3-bromo-1-methylpyrazol-4-yl)-3-ethyl-N,1-dimethylpyrazol-5-amine has a molecular weight of 298.19 g/mol, XLogP of 2.25, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-1-methylpyrazol-4-yl)-3-ethyl-N,1-dimethylpyrazol-5-amine is sourced from PubChem (CID 178128914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).