2-(5-bromo-1-methylpyrazol-3-yl)ethylcarbamic acid

C7H10BrN3O2 — CID 155128520

IUPAC2-(5-bromo-1-methylpyrazol-3-yl)ethylcarbamic acid
SMILESCn1nc(CCNC(=O)O)cc1Br
InChIInChI=1S/C7H10BrN3O2/c1-11-6(8)4-5(10-11)2-3-9-7(12)13/h4,9H,2-3H2,1H3,(H,12,13)
InChIKeyLZODLXRZGKMDLW-UHFFFAOYSA-N
MW248.08 g/mol
LogP0.99
Rot. Bonds3

About 2-(5-bromo-1-methylpyrazol-3-yl)ethylcarbamic acid

2-(5-bromo-1-methylpyrazol-3-yl)ethylcarbamic acid (PubChem CID 155128520) has the molecular formula C7H10BrN3O2 and a molecular weight of 248.08 g/mol. Its IUPAC name is 2-(5-bromo-1-methylpyrazol-3-yl)ethylcarbamic acid.

Molecular Properties

Compound Name2-(5-bromo-1-methylpyrazol-3-yl)ethylcarbamic acid
PubChem CID155128520
Molecular FormulaC7H10BrN3O2
Molecular Weight248.08 g/mol
Exact Mass247.00
IUPAC Name2-(5-bromo-1-methylpyrazol-3-yl)ethylcarbamic acid
SMILESCn1nc(CCNC(=O)O)cc1Br
InChIInChI=1S/C7H10BrN3O2/c1-11-6(8)4-5(10-11)2-3-9-7(12)13/h4,9H,2-3H2,1H3,(H,12,13)
InChIKeyLZODLXRZGKMDLW-UHFFFAOYSA-N
XLogP0.99
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.08
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2,5-Dimethylpyrazol-3-yl)methylcarbamic acid
CID 89158274
2-(3-bromo-1-methyl-1H-pyrazol-5-yl)-2-fluoroethan-1-amine
CID 165642109
3-(3-bromo-1-methyl-1H-pyrazol-5-yl)-3-fluoropropan-1-amine
CID 165665693
(1,5-Dimethylpyrazol-3-yl)methylcarbamic acid
CID 58787587
2-(5-Bromo-1-methyl-pyrazol-3-yl)ethanamine
CID 83852151
1-(2-Methylpyrazol-3-yl)ethylcarbamic acid
CID 123501854
(5-Bromo-1-methylpyrazol-3-yl)methylcarbamic acid
CID 155128542
2-(5-Bromo-1-methylpyrazol-3-yl)ethyl-tert-butylcarbamic acid
CID 155286320
tert-butyl (2-(5-bromo-1-methyl-1H-pyrazol-3-yl)ethyl)carbamate
CID 155286322
2-(3-bromo-1-methylpyrazol-5-yl)ethyl N-(3-hydroxypropyl)carbamate
CID 167524205
N-[2-(3-bromo-1-ethylpyrazol-5-yl)ethyl]formamide
CID 169243161
(4S,6R)-2-bromo-4,6-dimethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylic acid
CID 169791481

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-1-methylpyrazol-3-yl)ethylcarbamic acid?
The IUPAC name of 2-(5-bromo-1-methylpyrazol-3-yl)ethylcarbamic acid (CID 155128520) is 2-(5-bromo-1-methylpyrazol-3-yl)ethylcarbamic acid.
What is the SMILES notation for 2-(5-bromo-1-methylpyrazol-3-yl)ethylcarbamic acid?
The canonical SMILES for 2-(5-bromo-1-methylpyrazol-3-yl)ethylcarbamic acid is Cn1nc(CCNC(=O)O)cc1Br.
What is the InChIKey of 2-(5-bromo-1-methylpyrazol-3-yl)ethylcarbamic acid?
The InChIKey is LZODLXRZGKMDLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10BrN3O2/c1-11-6(8)4-5(10-11)2-3-9-7(12)13/h4,9H,2-3H2,1H3,(H,12,13).
What are the key properties of 2-(5-bromo-1-methylpyrazol-3-yl)ethylcarbamic acid?
2-(5-bromo-1-methylpyrazol-3-yl)ethylcarbamic acid has a molecular weight of 248.08 g/mol, XLogP of 0.99, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-1-methylpyrazol-3-yl)ethylcarbamic acid is sourced from PubChem (CID 155128520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).