4-bromo-1-methyl-5-pentylpyrazol-3-amine

C9H16BrN3 — CID 175073293

IUPAC4-bromo-1-methyl-5-pentylpyrazol-3-amine
SMILESCCCCCc1c(Br)c(N)nn1C
InChIInChI=1S/C9H16BrN3/c1-3-4-5-6-7-8(10)9(11)12-13(7)2/h3-6H2,1-2H3,(H2,11,12)
InChIKeyHECBTIILRZBMAX-UHFFFAOYSA-N
MW246.15 g/mol
LogP2.50
Rot. Bonds4

About 4-bromo-1-methyl-5-pentylpyrazol-3-amine

4-bromo-1-methyl-5-pentylpyrazol-3-amine (PubChem CID 175073293) has the molecular formula C9H16BrN3 and a molecular weight of 246.15 g/mol. Its IUPAC name is 4-bromo-1-methyl-5-pentylpyrazol-3-amine.

Molecular Properties

Compound Name4-bromo-1-methyl-5-pentylpyrazol-3-amine
PubChem CID175073293
Molecular FormulaC9H16BrN3
Molecular Weight246.15 g/mol
Exact Mass245.05
IUPAC Name4-bromo-1-methyl-5-pentylpyrazol-3-amine
SMILESCCCCCc1c(Br)c(N)nn1C
InChIInChI=1S/C9H16BrN3/c1-3-4-5-6-7-8(10)9(11)12-13(7)2/h3-6H2,1-2H3,(H2,11,12)
InChIKeyHECBTIILRZBMAX-UHFFFAOYSA-N
XLogP2.50
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.15
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-bromo-1-methyl-5-(2-methylpropyl)pyrazol-3-amine
CID 83911696
5-ethyl-1,4-dimethylpyrazol-3-amine
CID 83815114
2,4-dimethyl-5-nonylpyrazol-3-amine
CID 65426344
3,4,5-tributyl-1-methylpyrazole
CID 57481984
6-amino-4,5-dibromo-2-methylpyridazin-3-one
CID 170978635
N-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]octan-1-amine
CID 115567685
5-heptyl-3-methylimidazol-4-amine
CID 62081508
1-(4-bromo-1,3-dimethylpyrazol-5-yl)hexan-2-one
CID 79404360
7-bromo-1-methyl-5-propylindazol-3-amine
CID 67489903
1-(4-bromo-1,3-dimethylpyrazol-5-yl)-N-ethyloctan-2-amine
CID 105000232
4-bromo-5-(bromomethyl)-3-ethyl-1-methylpyrazole
CID 81223578
2-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]-3,3-dimethylbutan-1-amine
CID 83138601

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-methyl-5-pentylpyrazol-3-amine?
The IUPAC name of 4-bromo-1-methyl-5-pentylpyrazol-3-amine (CID 175073293) is 4-bromo-1-methyl-5-pentylpyrazol-3-amine.
What is the SMILES notation for 4-bromo-1-methyl-5-pentylpyrazol-3-amine?
The canonical SMILES for 4-bromo-1-methyl-5-pentylpyrazol-3-amine is CCCCCc1c(Br)c(N)nn1C.
What is the InChIKey of 4-bromo-1-methyl-5-pentylpyrazol-3-amine?
The InChIKey is HECBTIILRZBMAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16BrN3/c1-3-4-5-6-7-8(10)9(11)12-13(7)2/h3-6H2,1-2H3,(H2,11,12).
What are the key properties of 4-bromo-1-methyl-5-pentylpyrazol-3-amine?
4-bromo-1-methyl-5-pentylpyrazol-3-amine has a molecular weight of 246.15 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-methyl-5-pentylpyrazol-3-amine is sourced from PubChem (CID 175073293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).