[1-(3-bromo-1-methylpyrazol-5-yl)pyrrolidin-2-yl]methyl-methylcarbamic acid

C11H17BrN4O2 — CID 118690366

IUPAC[1-(3-bromo-1-methylpyrazol-5-yl)pyrrolidin-2-yl]methyl-methylcarbamic acid
SMILESCN(CC1CCCN1c1cc(Br)nn1C)C(=O)O
InChIInChI=1S/C11H17BrN4O2/c1-14(11(17)18)7-8-4-3-5-16(8)10-6-9(12)13-15(10)2/h6,8H,3-5,7H2,1-2H3,(H,17,18)
InChIKeyHUTGACVIVOMJAV-UHFFFAOYSA-N
MW317.19 g/mol
LogP1.76
Rot. Bonds3

About [1-(3-bromo-1-methylpyrazol-5-yl)pyrrolidin-2-yl]methyl-methylcarbamic acid

[1-(3-bromo-1-methylpyrazol-5-yl)pyrrolidin-2-yl]methyl-methylcarbamic acid (PubChem CID 118690366) has the molecular formula C11H17BrN4O2 and a molecular weight of 317.19 g/mol. Its IUPAC name is [1-(3-bromo-1-methylpyrazol-5-yl)pyrrolidin-2-yl]methyl-methylcarbamic acid.

Molecular Properties

Compound Name[1-(3-bromo-1-methylpyrazol-5-yl)pyrrolidin-2-yl]methyl-methylcarbamic acid
PubChem CID118690366
Molecular FormulaC11H17BrN4O2
Molecular Weight317.19 g/mol
Exact Mass316.05
IUPAC Name[1-(3-bromo-1-methylpyrazol-5-yl)pyrrolidin-2-yl]methyl-methylcarbamic acid
SMILESCN(CC1CCCN1c1cc(Br)nn1C)C(=O)O
InChIInChI=1S/C11H17BrN4O2/c1-14(11(17)18)7-8-4-3-5-16(8)10-6-9(12)13-15(10)2/h6,8H,3-5,7H2,1-2H3,(H,17,18)
InChIKeyHUTGACVIVOMJAV-UHFFFAOYSA-N
XLogP1.76
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.19
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [1-(3-bromo-1-methylpyrazol-5-yl)pyrrolidin-2-yl]methyl-methylcarbamic acid 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 [1-(3-bromo-1-methylpyrazol-5-yl)pyrrolidin-2-yl]methyl-methylcarbamic acid?
The IUPAC name of [1-(3-bromo-1-methylpyrazol-5-yl)pyrrolidin-2-yl]methyl-methylcarbamic acid (CID 118690366) is [1-(3-bromo-1-methylpyrazol-5-yl)pyrrolidin-2-yl]methyl-methylcarbamic acid.
What is the SMILES notation for [1-(3-bromo-1-methylpyrazol-5-yl)pyrrolidin-2-yl]methyl-methylcarbamic acid?
The canonical SMILES for [1-(3-bromo-1-methylpyrazol-5-yl)pyrrolidin-2-yl]methyl-methylcarbamic acid is CN(CC1CCCN1c1cc(Br)nn1C)C(=O)O.
What is the InChIKey of [1-(3-bromo-1-methylpyrazol-5-yl)pyrrolidin-2-yl]methyl-methylcarbamic acid?
The InChIKey is HUTGACVIVOMJAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN4O2/c1-14(11(17)18)7-8-4-3-5-16(8)10-6-9(12)13-15(10)2/h6,8H,3-5,7H2,1-2H3,(H,17,18).
What are the key properties of [1-(3-bromo-1-methylpyrazol-5-yl)pyrrolidin-2-yl]methyl-methylcarbamic acid?
[1-(3-bromo-1-methylpyrazol-5-yl)pyrrolidin-2-yl]methyl-methylcarbamic acid has a molecular weight of 317.19 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-bromo-1-methylpyrazol-5-yl)pyrrolidin-2-yl]methyl-methylcarbamic acid is sourced from PubChem (CID 118690366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).