4-bromo-N,N-bis(2-methoxyethyl)-1-methylpyrazol-3-amine

C10H18BrN3O2 — CID 118507265

IUPAC4-bromo-N,N-bis(2-methoxyethyl)-1-methylpyrazol-3-amine
SMILESCOCCN(CCOC)c1nn(C)cc1Br
InChIInChI=1S/C10H18BrN3O2/c1-13-8-9(11)10(12-13)14(4-6-15-2)5-7-16-3/h8H,4-7H2,1-3H3
InChIKeyQSHVOJIQNAQWNY-UHFFFAOYSA-N
MW292.18 g/mol
LogP1.28
Rot. Bonds7

About 4-bromo-N,N-bis(2-methoxyethyl)-1-methylpyrazol-3-amine

4-bromo-N,N-bis(2-methoxyethyl)-1-methylpyrazol-3-amine (PubChem CID 118507265) has the molecular formula C10H18BrN3O2 and a molecular weight of 292.18 g/mol. Its IUPAC name is 4-bromo-N,N-bis(2-methoxyethyl)-1-methylpyrazol-3-amine.

Molecular Properties

Compound Name4-bromo-N,N-bis(2-methoxyethyl)-1-methylpyrazol-3-amine
PubChem CID118507265
Molecular FormulaC10H18BrN3O2
Molecular Weight292.18 g/mol
Exact Mass291.06
IUPAC Name4-bromo-N,N-bis(2-methoxyethyl)-1-methylpyrazol-3-amine
SMILESCOCCN(CCOC)c1nn(C)cc1Br
InChIInChI=1S/C10H18BrN3O2/c1-13-8-9(11)10(12-13)14(4-6-15-2)5-7-16-3/h8H,4-7H2,1-3H3
InChIKeyQSHVOJIQNAQWNY-UHFFFAOYSA-N
XLogP1.28
TPSA39.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.18
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N,N-bis(2-methoxyethyl)-1-methylpyrazol-3-amine?
The IUPAC name of 4-bromo-N,N-bis(2-methoxyethyl)-1-methylpyrazol-3-amine (CID 118507265) is 4-bromo-N,N-bis(2-methoxyethyl)-1-methylpyrazol-3-amine.
What is the SMILES notation for 4-bromo-N,N-bis(2-methoxyethyl)-1-methylpyrazol-3-amine?
The canonical SMILES for 4-bromo-N,N-bis(2-methoxyethyl)-1-methylpyrazol-3-amine is COCCN(CCOC)c1nn(C)cc1Br.
What is the InChIKey of 4-bromo-N,N-bis(2-methoxyethyl)-1-methylpyrazol-3-amine?
The InChIKey is QSHVOJIQNAQWNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18BrN3O2/c1-13-8-9(11)10(12-13)14(4-6-15-2)5-7-16-3/h8H,4-7H2,1-3H3.
What are the key properties of 4-bromo-N,N-bis(2-methoxyethyl)-1-methylpyrazol-3-amine?
4-bromo-N,N-bis(2-methoxyethyl)-1-methylpyrazol-3-amine has a molecular weight of 292.18 g/mol, XLogP of 1.28, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N,N-bis(2-methoxyethyl)-1-methylpyrazol-3-amine is sourced from PubChem (CID 118507265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).