4-bromo-1-[2-(3-methylbutoxy)ethyl]pyrazol-3-amine

C10H18BrN3O — CID 61484239

IUPAC4-bromo-1-[2-(3-methylbutoxy)ethyl]pyrazol-3-amine
SMILESCC(C)CCOCCn1cc(Br)c(N)n1
InChIInChI=1S/C10H18BrN3O/c1-8(2)3-5-15-6-4-14-7-9(11)10(12)13-14/h7-8H,3-6H2,1-2H3,(H2,12,13)
InChIKeyNQIBWJRSGFOFSF-UHFFFAOYSA-N
MW276.18 g/mol
LogP2.29
Rot. Bonds6

About 4-bromo-1-[2-(3-methylbutoxy)ethyl]pyrazol-3-amine

4-bromo-1-[2-(3-methylbutoxy)ethyl]pyrazol-3-amine (PubChem CID 61484239) has the molecular formula C10H18BrN3O and a molecular weight of 276.18 g/mol. Its IUPAC name is 4-bromo-1-[2-(3-methylbutoxy)ethyl]pyrazol-3-amine.

Molecular Properties

Compound Name4-bromo-1-[2-(3-methylbutoxy)ethyl]pyrazol-3-amine
PubChem CID61484239
Molecular FormulaC10H18BrN3O
Molecular Weight276.18 g/mol
Exact Mass275.06
IUPAC Name4-bromo-1-[2-(3-methylbutoxy)ethyl]pyrazol-3-amine
SMILESCC(C)CCOCCn1cc(Br)c(N)n1
InChIInChI=1S/C10H18BrN3O/c1-8(2)3-5-15-6-4-14-7-9(11)10(12)13-14/h7-8H,3-6H2,1-2H3,(H2,12,13)
InChIKeyNQIBWJRSGFOFSF-UHFFFAOYSA-N
XLogP2.29
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.18
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2-methoxyethyl)-4-methyl-1H-pyrazol-3-amine
CID 64039250
4-bromo-1-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyrazol-3-amine
CID 61490273
4-Bromo-1-[3-(2,2,2-trifluoroethoxy)propyl]pyrazol-3-amine
CID 61491389
4-bromo-1-[2-(trifluoromethoxy)ethyl]-1H-pyrazol-3-amine
CID 65804749
4-bromo-1-[2-(2,2-difluorocyclopropoxy)ethyl]-1H-pyrazol-3-amine
CID 165957382
4-Bromo-1-(2-methoxyethyl)-1H-pyrazol-3-amine
CID 61175231
4-Bromo-1-[(tetrahydro-2H-pyran-4-yl)methyl]-1H-pyrazol-5-amine
CID 62386888
4-(4-Bromo-1-methylpyrazol-3-yl)morpholine
CID 90289297
4-bromo-N-(2-methoxyethyl)-N,1-dimethylpyrazol-3-amine
CID 90289435
4-bromo-N-(2-methoxyethyl)-1-methylpyrazol-3-amine
CID 90289581
4-bromo-N,N-bis(2-methoxyethyl)-1-methylpyrazol-3-amine
CID 118507265
1-(2-Methoxyethyl)-4-propan-2-ylpyrazol-3-amine
CID 169561465

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-[2-(3-methylbutoxy)ethyl]pyrazol-3-amine?
The IUPAC name of 4-bromo-1-[2-(3-methylbutoxy)ethyl]pyrazol-3-amine (CID 61484239) is 4-bromo-1-[2-(3-methylbutoxy)ethyl]pyrazol-3-amine.
What is the SMILES notation for 4-bromo-1-[2-(3-methylbutoxy)ethyl]pyrazol-3-amine?
The canonical SMILES for 4-bromo-1-[2-(3-methylbutoxy)ethyl]pyrazol-3-amine is CC(C)CCOCCn1cc(Br)c(N)n1.
What is the InChIKey of 4-bromo-1-[2-(3-methylbutoxy)ethyl]pyrazol-3-amine?
The InChIKey is NQIBWJRSGFOFSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18BrN3O/c1-8(2)3-5-15-6-4-14-7-9(11)10(12)13-14/h7-8H,3-6H2,1-2H3,(H2,12,13).
What are the key properties of 4-bromo-1-[2-(3-methylbutoxy)ethyl]pyrazol-3-amine?
4-bromo-1-[2-(3-methylbutoxy)ethyl]pyrazol-3-amine has a molecular weight of 276.18 g/mol, XLogP of 2.29, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-[2-(3-methylbutoxy)ethyl]pyrazol-3-amine is sourced from PubChem (CID 61484239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).