methyl 1-(1-amino-2-methylpropan-2-yl)-3-bromopyrazole-5-carboxylate

C9H14BrN3O2 — CID 170327676

IUPACmethyl 1-(1-amino-2-methylpropan-2-yl)-3-bromopyrazole-5-carboxylate
SMILESCOC(=O)c1cc(Br)nn1C(C)(C)CN
InChIInChI=1S/C9H14BrN3O2/c1-9(2,5-11)13-6(8(14)15-3)4-7(10)12-13/h4H,5,11H2,1-3H3
InChIKeyHHVOLQDSXWYJCM-UHFFFAOYSA-N
MW276.13 g/mol
LogP1.13
Rot. Bonds3

About methyl 1-(1-amino-2-methylpropan-2-yl)-3-bromopyrazole-5-carboxylate

methyl 1-(1-amino-2-methylpropan-2-yl)-3-bromopyrazole-5-carboxylate (PubChem CID 170327676) has the molecular formula C9H14BrN3O2 and a molecular weight of 276.13 g/mol. Its IUPAC name is methyl 1-(1-amino-2-methylpropan-2-yl)-3-bromopyrazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 1-(1-amino-2-methylpropan-2-yl)-3-bromopyrazole-5-carboxylate
PubChem CID170327676
Molecular FormulaC9H14BrN3O2
Molecular Weight276.13 g/mol
Exact Mass275.03
IUPAC Namemethyl 1-(1-amino-2-methylpropan-2-yl)-3-bromopyrazole-5-carboxylate
SMILESCOC(=O)c1cc(Br)nn1C(C)(C)CN
InChIInChI=1S/C9H14BrN3O2/c1-9(2,5-11)13-6(8(14)15-3)4-7(10)12-13/h4H,5,11H2,1-3H3
InChIKeyHHVOLQDSXWYJCM-UHFFFAOYSA-N
XLogP1.13
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.13
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 1-(1-amino-2-methylpropan-2-yl)-3-bromopyrazole-5-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 1-(1-amino-2-methylpropan-2-yl)-3-bromopyrazole-5-carboxylate?
The IUPAC name of methyl 1-(1-amino-2-methylpropan-2-yl)-3-bromopyrazole-5-carboxylate (CID 170327676) is methyl 1-(1-amino-2-methylpropan-2-yl)-3-bromopyrazole-5-carboxylate.
What is the SMILES notation for methyl 1-(1-amino-2-methylpropan-2-yl)-3-bromopyrazole-5-carboxylate?
The canonical SMILES for methyl 1-(1-amino-2-methylpropan-2-yl)-3-bromopyrazole-5-carboxylate is COC(=O)c1cc(Br)nn1C(C)(C)CN.
What is the InChIKey of methyl 1-(1-amino-2-methylpropan-2-yl)-3-bromopyrazole-5-carboxylate?
The InChIKey is HHVOLQDSXWYJCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14BrN3O2/c1-9(2,5-11)13-6(8(14)15-3)4-7(10)12-13/h4H,5,11H2,1-3H3.
What are the key properties of methyl 1-(1-amino-2-methylpropan-2-yl)-3-bromopyrazole-5-carboxylate?
methyl 1-(1-amino-2-methylpropan-2-yl)-3-bromopyrazole-5-carboxylate has a molecular weight of 276.13 g/mol, XLogP of 1.13, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(1-amino-2-methylpropan-2-yl)-3-bromopyrazole-5-carboxylate is sourced from PubChem (CID 170327676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).