(2R)-2-amino-3-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)propanoic acid

C9H14BrN3O2 — CID 106702766

IUPAC(2R)-2-amino-3-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)propanoic acid
SMILESCCc1nn(C)c(C[C@@H](N)C(=O)O)c1Br
InChIInChI=1S/C9H14BrN3O2/c1-3-6-8(10)7(13(2)12-6)4-5(11)9(14)15/h5H,3-4,11H2,1-2H3,(H,14,15)/t5-/m1/s1
InChIKeyQIZSWUUSIZDYQK-RXMQYKEDSA-N
MW276.13 g/mol
LogP0.70
Rot. Bonds4

About (2R)-2-amino-3-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)propanoic acid

(2R)-2-amino-3-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)propanoic acid (PubChem CID 106702766) has the molecular formula C9H14BrN3O2 and a molecular weight of 276.13 g/mol. Its IUPAC name is (2R)-2-amino-3-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)propanoic acid.

Molecular Properties

Compound Name(2R)-2-amino-3-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)propanoic acid
PubChem CID106702766
Molecular FormulaC9H14BrN3O2
Molecular Weight276.13 g/mol
Exact Mass275.03
IUPAC Name(2R)-2-amino-3-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)propanoic acid
SMILESCCc1nn(C)c(C[C@@H](N)C(=O)O)c1Br
InChIInChI=1S/C9H14BrN3O2/c1-3-6-8(10)7(13(2)12-6)4-5(11)9(14)15/h5H,3-4,11H2,1-2H3,(H,14,15)/t5-/m1/s1
InChIKeyQIZSWUUSIZDYQK-RXMQYKEDSA-N
XLogP0.70
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.13
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 2-amino-3-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)propanoate
CID 83226584
(2R)-2-amino-3-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)propanoic acid
CID 106702822
4-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-2,3-dimethylbutanoic acid
CID 81009375
3-amino-1-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)hexan-2-one
CID 116554748
3-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-N,1-N-dimethylpropane-1,2-diamine
CID 79092896
1-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-3-methoxybutan-2-amine
CID 79616432
4-bromo-5-(3-bromo-2-methylpropyl)-3-ethyl-1-methylpyrazole
CID 66048082
1-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-3-hydroxybutan-2-one
CID 103451555
4-bromo-5-(bromomethyl)-3-ethyl-1-methylpyrazole
CID 81223578
1-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-3-methoxy-3-methylbutan-2-amine
CID 79198588
2-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]-3,3-dimethylbutan-1-amine
CID 83138601
[1-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-3-methylbutan-2-yl]hydrazine
CID 105199615

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)propanoic acid?
The IUPAC name of (2R)-2-amino-3-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)propanoic acid (CID 106702766) is (2R)-2-amino-3-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)propanoic acid.
What is the SMILES notation for (2R)-2-amino-3-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)propanoic acid?
The canonical SMILES for (2R)-2-amino-3-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)propanoic acid is CCc1nn(C)c(C[C@@H](N)C(=O)O)c1Br.
What is the InChIKey of (2R)-2-amino-3-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)propanoic acid?
The InChIKey is QIZSWUUSIZDYQK-RXMQYKEDSA-N. The full InChI is InChI=1S/C9H14BrN3O2/c1-3-6-8(10)7(13(2)12-6)4-5(11)9(14)15/h5H,3-4,11H2,1-2H3,(H,14,15)/t5-/m1/s1.
What are the key properties of (2R)-2-amino-3-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)propanoic acid?
(2R)-2-amino-3-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)propanoic acid has a molecular weight of 276.13 g/mol, XLogP of 0.70, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)propanoic acid is sourced from PubChem (CID 106702766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).