2-(4-bromopyrazol-1-yl)ethyl-(2-methoxyethyl)carbamic acid

C9H14BrN3O3 — CID 67491361

IUPAC2-(4-bromopyrazol-1-yl)ethyl-(2-methoxyethyl)carbamic acid
SMILESCOCCN(CCn1cc(Br)cn1)C(=O)O
InChIInChI=1S/C9H14BrN3O3/c1-16-5-4-12(9(14)15)2-3-13-7-8(10)6-11-13/h6-7H,2-5H2,1H3,(H,14,15)
InChIKeySADFKYKJOPITNQ-UHFFFAOYSA-N
MW292.13 g/mol
LogP1.27
Rot. Bonds6

About 2-(4-bromopyrazol-1-yl)ethyl-(2-methoxyethyl)carbamic acid

2-(4-bromopyrazol-1-yl)ethyl-(2-methoxyethyl)carbamic acid (PubChem CID 67491361) has the molecular formula C9H14BrN3O3 and a molecular weight of 292.13 g/mol. Its IUPAC name is 2-(4-bromopyrazol-1-yl)ethyl-(2-methoxyethyl)carbamic acid.

Molecular Properties

Compound Name2-(4-bromopyrazol-1-yl)ethyl-(2-methoxyethyl)carbamic acid
PubChem CID67491361
Molecular FormulaC9H14BrN3O3
Molecular Weight292.13 g/mol
Exact Mass291.02
IUPAC Name2-(4-bromopyrazol-1-yl)ethyl-(2-methoxyethyl)carbamic acid
SMILESCOCCN(CCn1cc(Br)cn1)C(=O)O
InChIInChI=1S/C9H14BrN3O3/c1-16-5-4-12(9(14)15)2-3-13-7-8(10)6-11-13/h6-7H,2-5H2,1H3,(H,14,15)
InChIKeySADFKYKJOPITNQ-UHFFFAOYSA-N
XLogP1.27
TPSA67.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.13
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromopyrazol-1-yl)ethyl-(2-methoxyethyl)carbamic acid?
The IUPAC name of 2-(4-bromopyrazol-1-yl)ethyl-(2-methoxyethyl)carbamic acid (CID 67491361) is 2-(4-bromopyrazol-1-yl)ethyl-(2-methoxyethyl)carbamic acid.
What is the SMILES notation for 2-(4-bromopyrazol-1-yl)ethyl-(2-methoxyethyl)carbamic acid?
The canonical SMILES for 2-(4-bromopyrazol-1-yl)ethyl-(2-methoxyethyl)carbamic acid is COCCN(CCn1cc(Br)cn1)C(=O)O.
What is the InChIKey of 2-(4-bromopyrazol-1-yl)ethyl-(2-methoxyethyl)carbamic acid?
The InChIKey is SADFKYKJOPITNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14BrN3O3/c1-16-5-4-12(9(14)15)2-3-13-7-8(10)6-11-13/h6-7H,2-5H2,1H3,(H,14,15).
What are the key properties of 2-(4-bromopyrazol-1-yl)ethyl-(2-methoxyethyl)carbamic acid?
2-(4-bromopyrazol-1-yl)ethyl-(2-methoxyethyl)carbamic acid has a molecular weight of 292.13 g/mol, XLogP of 1.27, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromopyrazol-1-yl)ethyl-(2-methoxyethyl)carbamic acid is sourced from PubChem (CID 67491361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).